AA09408
10242-00-9 | 6-Nitro-1h-indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA09408
ChemicalName
6-Nitro-1h-indole-2-carboxylic acid
CasNumber
10242-00-9
MolecularFormula
C9H6N2O4
MolecularWeight
206.1549
MdlNumber
MFCD02664466
Smiles
[O-][N+](=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA09408
ChemicalName: 6-Nitro-1h-indole-2-carboxylic acid
CasNumber: 10242-00-9
MolecularFormula: C9H6N2O4
MolecularWeight: 206.1549
MdlNumber: MFCD02664466
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA09408
ChemicalName:
6-Nitro-1h-indole-2-carboxylic acid
CasNumber:
10242-00-9
MolecularFormula:
C9H6N2O4
MolecularWeight:
206.1549
MdlNumber:
MFCD02664466
Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(n1cncc1)Nc1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(n1cncc1)Nc1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2n1)cccc3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2n1)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__