AA89592
16730-20-4 | 5-Nitroindole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA89592
ChemicalName
5-Nitroindole-2-carboxylic acid
CasNumber
16730-20-4
MolecularFormula
C9H6N2O4
MolecularWeight
206.1549
MdlNumber
MFCD00236372
Smiles
OC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
NscNumber
520595
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA89592
ChemicalName: 5-Nitroindole-2-carboxylic acid
CasNumber: 16730-20-4
MolecularFormula: C9H6N2O4
MolecularWeight: 206.1549
MdlNumber: MFCD00236372
Smiles: OC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
NscNumber: 520595
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA89592
ChemicalName:
5-Nitroindole-2-carboxylic acid
CasNumber:
16730-20-4
MolecularFormula:
C9H6N2O4
MolecularWeight:
206.1549
MdlNumber:
MFCD00236372
Smiles:
OC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
NscNumber:
520595
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
COc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1cccc(c1)Cl
NscNumber: __
Complexity: 151
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
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:
NNC(=O)c1cccc(c1)Cl
NscNumber:
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Complexity:
151
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1)c1nnc(o1)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)c1nnc(o1)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__