SMILES:
CC1(C)C=Cc2cc(N)c([N+](=O)[O-])cc2O1Molecular Processing
Molecular formula
C11H12N2O3
Molecular weight
220.23
Exact mass
220.0848
XLogP
2.36
TPSA
78.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
61.25
Supplementary Information
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