SMILES:
Cc1cc(C)c(-n2cc([N+](=O)[O-])nc2C)c(C)c1Molecular Processing
Molecular formula
C13H15N3O2
Molecular weight
245.28
Exact mass
245.1164
XLogP
3.01
TPSA
60.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.17
Supplementary Information
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