AI05069
1008423-48-0 | 8-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI05069
ChemicalName
8-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber
1008423-48-0
MolecularFormula
C15H17NO2
MolecularWeight
243.301
MdlNumber
MFCD06653340
Smiles
CCc1ccc2c(c1)C1C=CCC1C(N2)C(=O)O
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
3
Xlogp3
3.3
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CatalogNumber: AI05069
ChemicalName: 8-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber: 1008423-48-0
MolecularFormula: C15H17NO2
MolecularWeight: 243.301
MdlNumber: MFCD06653340
Smiles: CCc1ccc2c(c1)C1C=CCC1C(N2)C(=O)O
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 3
Xlogp3: 3.3
CatalogNumber:
AI05069
ChemicalName:
8-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CasNumber:
1008423-48-0
MolecularFormula:
C15H17NO2
MolecularWeight:
243.301
MdlNumber:
MFCD06653340
Smiles:
CCc1ccc2c(c1)C1C=CCC1C(N2)C(=O)O
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
3
Xlogp3:
3.3
CatalogNumber: __
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MolecularWeight: __
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Smiles: N#Cc1cn[nH]c1c1cccs1
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
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__
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Smiles:
N#Cc1cn[nH]c1c1cccs1
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(NS(=O)(=O)c1ccccc1)CCS(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(NS(=O)(=O)c1ccccc1)CCS(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(N(S(=O)(=O)C)c1cccc(c1)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(N(S(=O)(=O)C)c1cccc(c1)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__