AF56206
41034-52-0 | 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF56206
ChemicalName
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CasNumber
41034-52-0
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD01318704
Smiles
OC(=O)C1NCCc2c1cccc2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-1.2
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CatalogNumber: AF56206
ChemicalName: 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CasNumber: 41034-52-0
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD01318704
Smiles: OC(=O)C1NCCc2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.2
CatalogNumber:
AF56206
ChemicalName:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CasNumber:
41034-52-0
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD01318704
Smiles:
OC(=O)C1NCCc2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.2
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Smiles: CCCn1c(=O)n(CCC)c2c(c1=O)n(C)cn2
Complexity: __
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Smiles:
CCCn1c(=O)n(CCC)c2c(c1=O)n(C)cn2
Complexity:
__
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Smiles: CCOC(CN(CC)CC)OCC
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Smiles:
CCOC(CN(CC)CC)OCC
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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: CCCC(CBr)Br
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Smiles:
CCCC(CBr)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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