AA52625
13337-69-4 | 1,2,3,4-Tetrahydroquinoline-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA52625
ChemicalName
1,2,3,4-Tetrahydroquinoline-4-carboxylic acid
CasNumber
13337-69-4
MolecularFormula
C10H11NO2
MolecularWeight
177.19983999999997
MdlNumber
MFCD09834787
Smiles
OC(=O)C1CCNc2c1cccc2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AA52625
ChemicalName: 1,2,3,4-Tetrahydroquinoline-4-carboxylic acid
CasNumber: 13337-69-4
MolecularFormula: C10H11NO2
MolecularWeight: 177.19983999999997
MdlNumber: MFCD09834787
Smiles: OC(=O)C1CCNc2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AA52625
ChemicalName:
1,2,3,4-Tetrahydroquinoline-4-carboxylic acid
CasNumber:
13337-69-4
MolecularFormula:
C10H11NO2
MolecularWeight:
177.19983999999997
MdlNumber:
MFCD09834787
Smiles:
OC(=O)C1CCNc2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: Clc1ccc2c(c1)nccc2C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
Clc1ccc2c(c1)nccc2C(=O)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O1CCN(CC1)P(c1ccccc1)N1CCOCC1
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Smiles:
O1CCN(CC1)P(c1ccccc1)N1CCOCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: FC(Oc1ccc(cn1)C(F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccc(cn1)C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__