이름: nopinone
SMILES:
CC1(C)C2CCC(=O)C1C2Molecular Processing
Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
2.01
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
39.62
Supplementary Information
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