Molecule

ID:91809

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₂
Molecular Mass
199.20536
Exact Mass
199.06332853
Charge
0
InChI
InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey
CUARLQDWYSRQDF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c3c1cccc3CC2
Isomeric Smiles
[N+](=O)(c1ccc2c3c(cccc13)CC2)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4658237
LogD (pH = 7.4)
3.4658237
Log P
3.4658237
Molar Refractivity
58.1131
Polarizability
22.499382
Polar Surface Area
45.82
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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