SMILES:
CC(C)Sc1cc(Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H10ClNO2S
Molecular weight
231.7
Exact mass
231.0121
XLogP
3.75
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.1
Supplementary Information
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