CC1(C)C=C(c2ccc(C(C)(C)C)cc2)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc2S1
SMILES: CC1(C)C=C(c2ccc(C(C)(C)C)cc2)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc2S1

Molecular Processing

Molecular formula
C30H28O2S
Molecular weight
452.62
Exact mass
452.181
XLogP
7.4
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
137.98

Supplementary Information

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