AH14342
6639-06-1 | 3-(1H-Indol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH14342
ChemicalName
3-(1H-Indol-1-yl)propanoic acid
CasNumber
6639-06-1
MolecularFormula
C11H11NO2
MolecularWeight
189.21054
MdlNumber
MFCD00022896
Smiles
OC(=O)CCn1ccc2c1cccc2
NscNumber
17814
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AH14342
ChemicalName: 3-(1H-Indol-1-yl)propanoic acid
CasNumber: 6639-06-1
MolecularFormula: C11H11NO2
MolecularWeight: 189.21054
MdlNumber: MFCD00022896
Smiles: OC(=O)CCn1ccc2c1cccc2
NscNumber: 17814
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AH14342
ChemicalName:
3-(1H-Indol-1-yl)propanoic acid
CasNumber:
6639-06-1
MolecularFormula:
C11H11NO2
MolecularWeight:
189.21054
MdlNumber:
MFCD00022896
Smiles:
OC(=O)CCn1ccc2c1cccc2
NscNumber:
17814
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCNC1=NC2=C(S1)C(=CC(=O)N2)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C=CCNC1=NC2=C(S1)C(=CC(=O)N2)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(=O)c1ccc(c(c1)OC)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)CC(=O)c1ccc(c(c1)OC)OC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)c1ccccc1C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)c1ccccc1C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__