AD89980
87815-77-8 | Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD89980
ChemicalName
Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
CasNumber
87815-77-8
MolecularFormula
C15H20N2O4
MolecularWeight
292.3303
MdlNumber
MFCD06016735
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.3
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CatalogNumber: AD89980
ChemicalName: Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
CasNumber: 87815-77-8
MolecularFormula: C15H20N2O4
MolecularWeight: 292.3303
MdlNumber: MFCD06016735
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.3
CatalogNumber:
AD89980
ChemicalName:
Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
CasNumber:
87815-77-8
MolecularFormula:
C15H20N2O4
MolecularWeight:
292.3303
MdlNumber:
MFCD06016735
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.3
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Smiles: COc1ccc(cc1)C[C@@H](CC(=O)O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COc1ccc(cc1)C[C@@H](CC(=O)O)N
Complexity:
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Smiles: CN(CCCN1CCNCC1)C
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Smiles:
CN(CCCN1CCNCC1)C
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C[C@@H]1NC(=O)[C@H]1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1NC(=O)[C@H]1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__