Name: 1-nitro-2-methylthio-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene
SMILES:
CSC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1BrMolecular Processing
Molecular formula
C9H13BrN4O2S2
Molecular weight
353.27
Exact mass
351.9663
XLogP
2.43
TPSA
83.85
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
79.04
Supplementary Information
Details werden geladen…
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