SMILES:
CC1(C)CC=C(Sc2ccccc2)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21Molecular Processing
Molecular formula
C27H22O2S
Molecular weight
410.54
Exact mass
410.1341
XLogP
6.6
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
30
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
0.148
Molar refractivity
123.74
Supplementary Information
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