SMILES:
CC(C)(C=O)Nc1nc(-c2ccc(C#N)cc2)c(Cl)s1Molecular Processing
Molecular formula
C14H12ClN3OS
Molecular weight
305.79
Exact mass
305.039
XLogP
3.72
TPSA
65.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
81.04
Supplementary Information
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