AB46889
53179-13-8 | Pirfenidone
Manufacturer: A2B Chem
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CatalogNumber
AB46889
ChemicalName
Pirfenidone
CasNumber
53179-13-8
MolecularFormula
C12H11NO
MolecularWeight
185.2218
MdlNumber
MFCD00866047
Smiles
Cc1ccc(=O)n(c1)c1ccccc1
NscNumber
748456
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB46889
ChemicalName: Pirfenidone
CasNumber: 53179-13-8
MolecularFormula: C12H11NO
MolecularWeight: 185.2218
MdlNumber: MFCD00866047
Smiles: Cc1ccc(=O)n(c1)c1ccccc1
NscNumber: 748456
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB46889
ChemicalName:
Pirfenidone
CasNumber:
53179-13-8
MolecularFormula:
C12H11NO
MolecularWeight:
185.2218
MdlNumber:
MFCD00866047
Smiles:
Cc1ccc(=O)n(c1)c1ccccc1
NscNumber:
748456
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AB46890
ChemicalName: Pivalamide
CasNumber: 754-10-9
MolecularFormula: C5H11NO
MolecularWeight: 101.1469
MdlNumber: MFCD00008011
Smiles: NC(=O)C(C)(C)C
NscNumber: 17584
Complexity: 80.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB46890
ChemicalName:
Pivalamide
CasNumber:
754-10-9
MolecularFormula:
C5H11NO
MolecularWeight:
101.1469
MdlNumber:
MFCD00008011
Smiles:
NC(=O)C(C)(C)C
NscNumber:
17584
Complexity:
80.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(C)(C)C
NscNumber: __
Complexity: 78.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(C)(C)C
NscNumber:
__
Complexity:
78.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AB46892
ChemicalName: Trimethylacetic anhydride
CasNumber: 1538-75-6
MolecularFormula: C10H18O3
MolecularWeight: 186.2481
MdlNumber: MFCD00008842
Smiles: O=C(C(C)(C)C)OC(=O)C(C)(C)C
NscNumber: __
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AB46892
ChemicalName:
Trimethylacetic anhydride
CasNumber:
1538-75-6
MolecularFormula:
C10H18O3
MolecularWeight:
186.2481
MdlNumber:
MFCD00008842
Smiles:
O=C(C(C)(C)C)OC(=O)C(C)(C)C
NscNumber:
__
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.7