AD77491
112106-91-9 | 1H-Indole-7-carboxylic acid,2,3-dihydro-,methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD77491
ChemicalName
1H-Indole-7-carboxylic acid,2,3-dihydro-,methyl ester
CasNumber
112106-91-9
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD09954772
Smiles
COC(=O)c1cccc2c1NCC2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AD77491
ChemicalName: 1H-Indole-7-carboxylic acid,2,3-dihydro-,methyl ester
CasNumber: 112106-91-9
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD09954772
Smiles: COC(=O)c1cccc2c1NCC2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD77491
ChemicalName:
1H-Indole-7-carboxylic acid,2,3-dihydro-,methyl ester
CasNumber:
112106-91-9
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD09954772
Smiles:
COC(=O)c1cccc2c1NCC2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@@H](C(=O)O)CC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@@H](C(=O)O)CC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCc1cncnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCc1cncnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1S(=O)(=O)N)C[C@H](N)C
Complexity: 313
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1S(=O)(=O)N)C[C@H](N)C
Complexity:
313
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2