AA70478
1438805-05-0 | 3-(2-Formyl-1H-indol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA70478
ChemicalName
3-(2-Formyl-1H-indol-1-yl)propanoic acid
CasNumber
1438805-05-0
MolecularFormula
C12H11NO3
MolecularWeight
217.22063999999997
MdlNumber
MFCD30183565
Smiles
O=Cc1cc2c(n1CCC(=O)O)cccc2
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AA70478
ChemicalName: 3-(2-Formyl-1H-indol-1-yl)propanoic acid
CasNumber: 1438805-05-0
MolecularFormula: C12H11NO3
MolecularWeight: 217.22063999999997
MdlNumber: MFCD30183565
Smiles: O=Cc1cc2c(n1CCC(=O)O)cccc2
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AA70478
ChemicalName:
3-(2-Formyl-1H-indol-1-yl)propanoic acid
CasNumber:
1438805-05-0
MolecularFormula:
C12H11NO3
MolecularWeight:
217.22063999999997
MdlNumber:
MFCD30183565
Smiles:
O=Cc1cc2c(n1CCC(=O)O)cccc2
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: Oc1ccccc1c1cc2ccccc2c(=O)[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1ccccc1c1cc2ccccc2c(=O)[nH]1
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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Smiles: Fc1ccccc1[C@@H](c1ccccc1)O
Complexity: __
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Smiles:
Fc1ccccc1[C@@H](c1ccccc1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1ccc(c(c1F)F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__