Molecule

ID:68417

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
O=c1[nH]c2ccccc2c2c1cccc2
Isomeric Smiles
c1cccc2[nH]c(=O)c3ccccc3c12
Calculated Properties
JChem
LogD (pH = 7.4)
2.74
LogD (pH = 5.5)
2.74
Log P
2.74
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.16
Polar Surface Area
29.10
Polarizability
20.65
Molar Refractivity
60.67
LOG S
-4.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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