AI38830
17056-93-8 | 1-(3-Hydroxynaphthalen-2-yl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AI38830
ChemicalName
1-(3-Hydroxynaphthalen-2-yl)ethanone
CasNumber
17056-93-8
MolecularFormula
C12H10O2
MolecularWeight
186.2066
MdlNumber
MFCD04339089
Smiles
CC(=O)c1cc2ccccc2cc1O
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AI38830
ChemicalName: 1-(3-Hydroxynaphthalen-2-yl)ethanone
CasNumber: 17056-93-8
MolecularFormula: C12H10O2
MolecularWeight: 186.2066
MdlNumber: MFCD04339089
Smiles: CC(=O)c1cc2ccccc2cc1O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AI38830
ChemicalName:
1-(3-Hydroxynaphthalen-2-yl)ethanone
CasNumber:
17056-93-8
MolecularFormula:
C12H10O2
MolecularWeight:
186.2066
MdlNumber:
MFCD04339089
Smiles:
CC(=O)c1cc2ccccc2cc1O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AI38832
ChemicalName: 1-[4-(Aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1h-pyrazole-3-carboxylic acid
CasNumber: 170571-19-4
MolecularFormula: C16H12ClN3O4S
MolecularWeight: 377.8022
MdlNumber: MFCD01316456
Smiles: Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(=O)O
Complexity: 581
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AI38832
ChemicalName:
1-[4-(Aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1h-pyrazole-3-carboxylic acid
CasNumber:
170571-19-4
MolecularFormula:
C16H12ClN3O4S
MolecularWeight:
377.8022
MdlNumber:
MFCD01316456
Smiles:
Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(=O)O
Complexity:
581
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
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Smiles: COc1ccc(cc1)CNC=O
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COc1ccc(cc1)CNC=O
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Smiles: C#CCOc1ccc(cc1)[N+](=O)[O-]
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Smiles:
C#CCOc1ccc(cc1)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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