Molecule

ID:90749

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h2-7H,1H3
InChIKey
BWEGRKPOJXNZSK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc[n+]2[O-]
Isomeric Smiles
[n+]1(c2c(ccc1)cc(cc2)OC)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.87419593
LogD (pH = 7.4)
0.8742099
Log P
0.87421006
Molar Refractivity
50.35
Polarizability
19.928917
Polar Surface Area
34.69
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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