Cc1cc2ccc(C#CC(C)(C)C)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O
SMILES: Cc1cc2ccc(C#CC(C)(C)C)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C29H31ClO3
Molecular weight
463.02
Exact mass
462.1962
XLogP
7.81
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
136.68

Supplementary Information

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