SMILES:
COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(OC(=O)[C@@H](N)CCSC)c2cc(Cl)ccc21Molecular Processing
Molecular formula
C31H34ClN3O5S
Molecular weight
596.15
Exact mass
595.1908
XLogP
6.01
TPSA
110.96
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
164.3
Supplementary Information
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