Molecule

ID:78168

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
InChIKey
HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)cccc1C
Isomeric Smiles
[N+](=O)(c1c(cccc1C)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9400728
LogD (pH = 7.4)
2.9400728
Log P
2.9400728
Molar Refractivity
42.4609
Polarizability
15.723428
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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