SMILES:
CCc1[nH]c(C(=O)NC2CN(c3ncc(C(=O)O)s3)C2)nc1ClMolecular Processing
Molecular formula
C13H14ClN5O3S
Molecular weight
355.81
Exact mass
355.0506
XLogP
1.4
TPSA
111.21
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
85.52
Supplementary Information
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