이름: product
SMILES:
C1CCC(C[C@H]2CO2)CC1Molecular Processing
Molecular formula
C9H16O
Molecular weight
140.23
Exact mass
140.1201
XLogP
2.36
TPSA
12.53
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
40.93
Supplementary Information
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