Name: 4-[p-(1-cycloheptenyl)-phenoxy]-butyric acid ethyl ester
SMILES:
CCOC(=O)CCCOc1ccc(C2=CCCCCC2)cc1Molecular Processing
Molecular formula
C19H26O3
Molecular weight
302.41
Exact mass
302.1882
XLogP
4.76
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
88.87
Supplementary Information
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