C#CCNC(NCCSCc1[nH]cnc1C)=C(C#N)C(N)=O
SMILES: C#CCNC(NCCSCc1[nH]cnc1C)=C(C#N)C(N)=O

Molecular Processing

Molecular formula
C14H18N6OS
Molecular weight
318.41
Exact mass
318.1263
XLogP
-0.02
TPSA
119.62
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
86.16

Supplementary Information

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