AI63547
94718-66-8 | 9H-Pyrido[2,3-b]indole-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI63547
ChemicalName
9H-Pyrido[2,3-b]indole-6-carboxylic acid
CasNumber
94718-66-8
MolecularFormula
C12H8N2O2
MolecularWeight
212.2041
MdlNumber
MFCD18803925
Smiles
OC(=O)c1ccc2c(c1)c1-c(n2)[nH]ccc1
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AI63547
ChemicalName: 9H-Pyrido[2,3-b]indole-6-carboxylic acid
CasNumber: 94718-66-8
MolecularFormula: C12H8N2O2
MolecularWeight: 212.2041
MdlNumber: MFCD18803925
Smiles: OC(=O)c1ccc2c(c1)c1-c(n2)[nH]ccc1
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AI63547
ChemicalName:
9H-Pyrido[2,3-b]indole-6-carboxylic acid
CasNumber:
94718-66-8
MolecularFormula:
C12H8N2O2
MolecularWeight:
212.2041
MdlNumber:
MFCD18803925
Smiles:
OC(=O)c1ccc2c(c1)c1-c(n2)[nH]ccc1
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.2
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Smiles: O=Cc1ccccc1Sc1ccccc1Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
O=Cc1ccccc1Sc1ccccc1Cl
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: B(C1=CC(=CN=C1)C2=NC(CO2)(C)C)(O)O
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
B(C1=CC(=CN=C1)C2=NC(CO2)(C)C)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: O=C(C(F)(F)F)Nc1nc2n(c1)nc(cc2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)Nc1nc2n(c1)nc(cc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__