Molecule

ID:106036

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey
RZFVLEJOHSLEFR-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccc2c2c1cccc2
Isomeric Smiles
Oc1nc2ccccc2c2ccccc12
Calculated Properties
JChem
Acid pKa
12.000242
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4110458
LogD (pH = 7.4)
3.4112558
Log P
3.4112694
Molar Refractivity
58.7239
Polarizability
25.234638
Polar Surface Area
33.12
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