CC=CCC1Cc2c(C)cccc2C1=O
SMILES: CC=CCC1Cc2c(C)cccc2C1=O

Molecular Processing

Molecular formula
C14H16O
Molecular weight
200.28
Exact mass
200.1201
XLogP
3.32
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
62.13

Supplementary Information

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