AF29406
312713-96-5 | 7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF29406
ChemicalName
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber
312713-96-5
MolecularFormula
C14H14ClNO2
MolecularWeight
263.7195
MdlNumber
MFCD01047019
Smiles
OC(=O)C1Nc2c(C3C1CC=C3)ccc(c2C)Cl
NscNumber
727708
Complexity
384
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
3
Xlogp3
3.5
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CatalogNumber: AF29406
ChemicalName: 7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber: 312713-96-5
MolecularFormula: C14H14ClNO2
MolecularWeight: 263.7195
MdlNumber: MFCD01047019
Smiles: OC(=O)C1Nc2c(C3C1CC=C3)ccc(c2C)Cl
NscNumber: 727708
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 3
Xlogp3: 3.5
CatalogNumber:
AF29406
ChemicalName:
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber:
312713-96-5
MolecularFormula:
C14H14ClNO2
MolecularWeight:
263.7195
MdlNumber:
MFCD01047019
Smiles:
OC(=O)C1Nc2c(C3C1CC=C3)ccc(c2C)Cl
NscNumber:
727708
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
3
Xlogp3:
3.5
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Smiles: Cc1cccc2c1[nH]cc2CCN.Cl
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Smiles:
Cc1cccc2c1[nH]cc2CCN.Cl
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Smiles: O=Cc1cccn1c1ccc(cc1)[N+](=O)[O-]
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Smiles:
O=Cc1cccn1c1ccc(cc1)[N+](=O)[O-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__