SMILES:
C=CCNC(=NCCSCc1[nH]cnc1C)NC#NMolecular Processing
Molecular formula
C12H18N6S
Molecular weight
278.39
Exact mass
278.1314
XLogP
1.15
TPSA
88.89
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
78.74
Supplementary Information
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