AD80742
1032229-33-6 | A939572
Manufacturer: A2B Chem
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CatalogNumber
AD80742
ChemicalName
A939572
CasNumber
1032229-33-6
MolecularFormula
C20H22ClN3O3
MolecularWeight
387.86
MdlNumber
MFCD10698997
Smiles
CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)Oc1ccccc1Cl
Complexity
511
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AD80742
ChemicalName: A939572
CasNumber: 1032229-33-6
MolecularFormula: C20H22ClN3O3
MolecularWeight: 387.86
MdlNumber: MFCD10698997
Smiles: CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)Oc1ccccc1Cl
Complexity: 511
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AD80742
ChemicalName:
A939572
CasNumber:
1032229-33-6
MolecularFormula:
C20H22ClN3O3
MolecularWeight:
387.86
MdlNumber:
MFCD10698997
Smiles:
CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)Oc1ccccc1Cl
Complexity:
511
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CN(CC(=O)O)/N=N/c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN(CC(=O)O)/N=N/c1ccc(cc1)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCC=CCCCCCCCC
Complexity: __
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Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCC=CCCCCCCCC
Complexity:
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Smiles: OC[C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__