AB28911
26088-66-4 | 2,3,4,9-Tetrahydro-1H-carbazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB28911
ChemicalName
2,3,4,9-Tetrahydro-1H-carbazole-3-carboxylic acid
CasNumber
26088-66-4
MolecularFormula
C13H13NO2
MolecularWeight
215.24781999999996
MdlNumber
MFCD12547106
Smiles
OC(=O)C1CCc2c(C1)c1ccccc1[nH]2
Complexity
292
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AB28911
ChemicalName: 2,3,4,9-Tetrahydro-1H-carbazole-3-carboxylic acid
CasNumber: 26088-66-4
MolecularFormula: C13H13NO2
MolecularWeight: 215.24781999999996
MdlNumber: MFCD12547106
Smiles: OC(=O)C1CCc2c(C1)c1ccccc1[nH]2
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AB28911
ChemicalName:
2,3,4,9-Tetrahydro-1H-carbazole-3-carboxylic acid
CasNumber:
26088-66-4
MolecularFormula:
C13H13NO2
MolecularWeight:
215.24781999999996
MdlNumber:
MFCD12547106
Smiles:
OC(=O)C1CCc2c(C1)c1ccccc1[nH]2
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CN1CCCN(CC1)C(=S)SSC(=S)N1CCCN(CC1)C
Complexity: __
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Smiles:
CN1CCCN(CC1)C(=S)SSC(=S)N1CCCN(CC1)C
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Smiles: CC(OP(=O)(OC(C)C)SCc1ccccc1)C
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Smiles:
CC(OP(=O)(OC(C)C)SCc1ccccc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)CC)CC
Complexity: __
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HeavyAtomCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)CC)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__