SMILES:
CC(C)(Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1Molecular Processing
Molecular formula
C14H13ClN2O3
Molecular weight
292.72
Exact mass
292.0615
XLogP
3.96
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
76
Supplementary Information
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