SMILES:
O=CNc1nc(-c2cccnc2)c(Cl)s1Molecular Processing
Molecular formula
C9H6ClN3OS
Molecular weight
239.69
Exact mass
238.992
XLogP
2.43
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
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
Molar refractivity
60.04
Supplementary Information
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