SMILES:
CC1=Cc2cc3c(cc2C1)CCC3Molecular Processing
Molecular formula
C13H14
Molecular weight
170.25
Exact mass
170.1096
XLogP
3.13
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
13
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
55.82
Supplementary Information
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