CC1(C)CC(=C(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)O1
SMILES: CC1(C)CC(=C(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)O1

Molecular Processing

Molecular formula
C25H27ClO4
Molecular weight
426.94
Exact mass
426.1598
XLogP
6.31
TPSA
66.76
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
120.73

Supplementary Information

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