SMILES:
O=C1C=CCC(Cc2ccccc2)CCC1Molecular Processing
Molecular formula
C15H18O
Molecular weight
214.31
Exact mass
214.1358
XLogP
3.54
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
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
0.4
Molar refractivity
66.25
Supplementary Information
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