이름: IPN
SMILES:
CC1(C)CC(=O)CC(C)(C#N)C1Molecular Processing
Molecular formula
C10H15NO
Molecular weight
165.24
Exact mass
165.1154
XLogP
2.3
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
46.36
Supplementary Information
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