AI46166
26750-81-2 | Alibendol
Manufacturer: A2B Chem
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CatalogNumber
AI46166
ChemicalName
Alibendol
CasNumber
26750-81-2
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD00865165
Smiles
OCCNC(=O)c1cc(CC=C)cc(c1O)OC
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AI46166
ChemicalName: Alibendol
CasNumber: 26750-81-2
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD00865165
Smiles: OCCNC(=O)c1cc(CC=C)cc(c1O)OC
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AI46166
ChemicalName:
Alibendol
CasNumber:
26750-81-2
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD00865165
Smiles:
OCCNC(=O)c1cc(CC=C)cc(c1O)OC
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
1.8
CatalogNumber: AI46167
ChemicalName: 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
CasNumber: 26751-24-6
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD03839866
Smiles: OC(=O)C1CCc2c(C1)nc[nH]2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AI46167
ChemicalName:
4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
CasNumber:
26751-24-6
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD03839866
Smiles:
OC(=O)C1CCc2c(C1)nc[nH]2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: FC(c1ccc(cc1)C1(O)COC1)(F)F
Complexity: __
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Xlogp3: __
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Smiles:
FC(c1ccc(cc1)C1(O)COC1)(F)F
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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Xlogp3:
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ChemicalName: __
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Smiles: COc1c(Br)cccc1C(O)C
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1c(Br)cccc1C(O)C
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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Xlogp3:
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