SMILES:
O=[N+]([O-])c1ccc(C=CCCl)cc1Molecular Processing
Molecular formula
C9H8ClNO2
Molecular weight
197.62
Exact mass
197.0244
XLogP
2.85
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.85
Supplementary Information
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