AE56784
103987-83-3 | 1-Nitro-2-naphthoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE56784
ChemicalName
1-Nitro-2-naphthoic acid
CasNumber
103987-83-3
MolecularFormula
C11H7NO4
MolecularWeight
217.1776
MdlNumber
MFCD06203335
Smiles
[O-][N+](=O)c1c(ccc2c1cccc2)C(=O)O
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AE56784
ChemicalName: 1-Nitro-2-naphthoic acid
CasNumber: 103987-83-3
MolecularFormula: C11H7NO4
MolecularWeight: 217.1776
MdlNumber: MFCD06203335
Smiles: [O-][N+](=O)c1c(ccc2c1cccc2)C(=O)O
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE56784
ChemicalName:
1-Nitro-2-naphthoic acid
CasNumber:
103987-83-3
MolecularFormula:
C11H7NO4
MolecularWeight:
217.1776
MdlNumber:
MFCD06203335
Smiles:
[O-][N+](=O)c1c(ccc2c1cccc2)C(=O)O
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
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Smiles: CC(=O)Nc1ccc2c(c1)C(=O)CCS2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)Nc1ccc2c(c1)C(=O)CCS2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1[C@H](N=c2ccn(cc2)Cc2ccccc2)[C@@H]2N1C(=C(CS2)CSc1nc(=O)c(=O)[nH]n1C)C(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1[C@H](N=c2ccn(cc2)Cc2ccccc2)[C@@H]2N1C(=C(CS2)CSc1nc(=O)c(=O)[nH]n1C)C(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN1CCCC1C2=CN=CC=C2.O.[OH-].P.[Mo]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCCC1C2=CN=CC=C2.O.[OH-].P.[Mo]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__