Name: 1-nitro-2-methylthio-2-{3-[(4-methyl-1H-imidazol-5-yl)methylthio]propylamino}ethylene
SMILES:
CSC(=C[N+](=O)[O-])NCCCSCc1[nH]cnc1CMolecular Processing
Molecular formula
C11H18N4O2S2
Molecular weight
302.43
Exact mass
302.0871
XLogP
2.37
TPSA
83.85
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
19
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
0.545
Molar refractivity
80.7
Supplementary Information
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