CCOC(=O)C(Cl)(Cl)CCCCCCCCCCCCSc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
SMILES: CCOC(=O)C(Cl)(Cl)CCCCCCCCCCCCSc1ccc(NC(=O)c2ccc(Cl)cc2)cc1

Molecular Processing

Molecular formula
C29H38Cl3NO3S
Molecular weight
587.05
Exact mass
585.1638
XLogP
9.71
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
18
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
158.43

Supplementary Information

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