SMILES:
C=CCC1(C(=O)OCC)Cc2ccccc2C1Molecular Processing
Molecular formula
C15H18O2
Molecular weight
230.31
Exact mass
230.1307
XLogP
2.91
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
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
0.4
Molar refractivity
67.73
Supplementary Information
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