Molecule

ID:126723

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈O₃
Molecular Mass
236.22222
Exact Mass
236.04734412
Charge
0
InChI
InChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H
InChIKey
JBIZUYWOIKFETJ-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2ccccc2c2c1c1ccccc1o2
Isomeric Smiles
O=c1oc2ccccc2c2oc3c(cccc3)c12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.004452
LogD (pH = 7.4)
3.004452
Log P
3.004452
Molar Refractivity
65.6577
Polarizability
27.554283
Polar Surface Area
39.44
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation