Name: 4-(2-nitro-1H-imidazol-4-ylmethyl)-piperazin-2-one
SMILES:
O=C1CN(Cc2c[nH]c([N+](=O)[O-])n2)CCN1Molecular Processing
Molecular formula
C8H11N5O3
Molecular weight
225.21
Exact mass
225.0862
XLogP
-0.75
TPSA
104.16
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.53
Supplementary Information
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