이름: 5-benzoyl-2-pentanone
SMILES:
CC(=O)CCCC(=O)c1ccccc1Molecular Processing
Molecular formula
C12H14O2
Molecular weight
190.24
Exact mass
190.0994
XLogP
2.63
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.3
Supplementary Information
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