Cc1ncc(C(=O)NNC(=S)NC2CC3C=CC2C3)s1
SMILES: Cc1ncc(C(=O)NNC(=S)NC2CC3C=CC2C3)s1

Molecular Processing

Molecular formula
C13H16N4OS2
Molecular weight
308.43
Exact mass
308.0766
XLogP
1.53
TPSA
66.05
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
82.33

Supplementary Information

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