CCCC=C1Cc2cc(OC)ccc2C1=O
SMILES: CCCC=C1Cc2cc(OC)ccc2C1=O

Molecular Processing

Molecular formula
C14H16O2
Molecular weight
216.28
Exact mass
216.115
XLogP
3.16
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
64.02

Supplementary Information

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