C=CCN(C)CC(=O)N1CC(c2ccc(Cl)cc2)Sc2ccccc21.O=C(O)C(=O)O
SMILES: C=CCN(C)CC(=O)N1CC(c2ccc(Cl)cc2)Sc2ccccc21.O=C(O)C(=O)O

Molecular Processing

Molecular formula
C22H23ClN2O5S
Molecular weight
462.96
Exact mass
462.1016
XLogP
3.79
TPSA
98.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.227
Molar refractivity
121.81

Supplementary Information

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