AI64568
956247-29-3 | (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64568
ChemicalName
(3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber
956247-29-3
MolecularFormula
C14H14N2O4
MolecularWeight
274.272
MdlNumber
MFCD07363458
Smiles
OC(=O)[C@H]1Nc2c(C)ccc(c2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-]
Complexity
459
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AI64568
ChemicalName: (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber: 956247-29-3
MolecularFormula: C14H14N2O4
MolecularWeight: 274.272
MdlNumber: MFCD07363458
Smiles: OC(=O)[C@H]1Nc2c(C)ccc(c2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-]
Complexity: 459
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AI64568
ChemicalName:
(3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber:
956247-29-3
MolecularFormula:
C14H14N2O4
MolecularWeight:
274.272
MdlNumber:
MFCD07363458
Smiles:
OC(=O)[C@H]1Nc2c(C)ccc(c2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-]
Complexity:
459
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
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Smiles: Clc1ccc(cc1)c1nn(cc1C(=O)O)Cc1ccccc1
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Smiles:
Clc1ccc(cc1)c1nn(cc1C(=O)O)Cc1ccccc1
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Smiles: C[C@@H]1CCC[C@@H](N1CC1CCCCCN1)C
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Smiles:
C[C@@H]1CCC[C@@H](N1CC1CCCCCN1)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1Nc2c(C)cccc2[C@@H]2[C@H]1CC=C2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1Nc2c(C)cccc2[C@@H]2[C@H]1CC=C2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__