AF89444
342639-96-7 | Kribb11
Manufacturer: A2B Chem
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CatalogNumber
AF89444
ChemicalName
Kribb11
CasNumber
342639-96-7
MolecularFormula
C13H12N6O2
MolecularWeight
284.27338
MdlNumber
MFCD30182306
Smiles
CNc1ccc(c(n1)Nc1ccc2c(c1)cn[nH]2)[N+](=O)[O-]
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AF89444
ChemicalName: Kribb11
CasNumber: 342639-96-7
MolecularFormula: C13H12N6O2
MolecularWeight: 284.27338
MdlNumber: MFCD30182306
Smiles: CNc1ccc(c(n1)Nc1ccc2c(c1)cn[nH]2)[N+](=O)[O-]
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AF89444
ChemicalName:
Kribb11
CasNumber:
342639-96-7
MolecularFormula:
C13H12N6O2
MolecularWeight:
284.27338
MdlNumber:
MFCD30182306
Smiles:
CNc1ccc(c(n1)Nc1ccc2c(c1)cn[nH]2)[N+](=O)[O-]
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H](C1C2C[C@H](O)[C@]2(C1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H](C1C2C[C@H](O)[C@]2(C1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C.O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-][n+]1cccc2c1c(C)ccc2
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
[O-][n+]1cccc2c1c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__