이름: 5-(acetylamino)-2-butyl-1-indanone
SMILES:
CCCCC1Cc2cc(NC(C)=O)ccc2C1=OMolecular Processing
Molecular formula
C15H19NO2
Molecular weight
245.32
Exact mass
245.1416
XLogP
3.19
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.8
Supplementary Information
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