SMILES:
Cc1c(N2C(=O)C3(C)C(O)CCN3S2(=O)=O)ccc(C#N)c1ClMolecular Processing
Molecular formula
C14H14ClN3O4S
Molecular weight
355.8
Exact mass
355.0394
XLogP
0.94
TPSA
101.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
83.04
Supplementary Information
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