SMILES:
Cc1cc2ccc(CCC3CC3)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C28H31ClO3
Molecular weight
451.01
Exact mass
450.1962
XLogP
7.75
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
131.39
Supplementary Information
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