AG19635
522629-08-9 | CGP-57380
Manufacturer: A2B Chem
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CatalogNumber
AG19635
ChemicalName
CGP-57380
CasNumber
522629-08-9
MolecularFormula
C11H9FN6
MolecularWeight
244.2278
MdlNumber
MFCD03861062
Smiles
Fc1ccc(cc1)Nc1n[nH]c2c1c(N)ncn2
NscNumber
741567
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AG19635
ChemicalName: CGP-57380
CasNumber: 522629-08-9
MolecularFormula: C11H9FN6
MolecularWeight: 244.2278
MdlNumber: MFCD03861062
Smiles: Fc1ccc(cc1)Nc1n[nH]c2c1c(N)ncn2
NscNumber: 741567
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG19635
ChemicalName:
CGP-57380
CasNumber:
522629-08-9
MolecularFormula:
C11H9FN6
MolecularWeight:
244.2278
MdlNumber:
MFCD03861062
Smiles:
Fc1ccc(cc1)Nc1n[nH]c2c1c(N)ncn2
NscNumber:
741567
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)[N+](=O)[O-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@@H](COc1cccc(c1)Cl)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@@H](COc1cccc(c1)Cl)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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Smiles: CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__