SMILES:
C=CCc1cc(C(=O)OC)cc(CC=C)c1OCMolecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.94
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
72.14
Supplementary Information
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