이름: 4-(2-(4-chlorobenzoyl)phenyl)-5-methylisoxazole-3-carbaldehyde
SMILES:
Cc1onc(C=O)c1-c1ccccc1C(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C18H12ClNO3
Molecular weight
325.75
Exact mass
325.0506
XLogP
4.35
TPSA
60.17
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
86.95
Supplementary Information
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