SMILES:
CCCCc1ncc(/C=C(/C(=O)O)C(Cc2ccccc2)c2cccs2)n1Cc1ccccc1ClMolecular Processing
Molecular formula
C29H29ClN2O2S
Molecular weight
505.08
Exact mass
504.1638
XLogP
7.48
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
144.21
Supplementary Information
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