Molecule

ID:126736

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
InChIKey
NPUACKRELIJTFM-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)Oc1ccccc1C=N2
Isomeric Smiles
N1=Cc2c(Oc3c1cccc3)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.374545
LogD (pH = 7.4)
3.374548
Log P
3.3745482
Molar Refractivity
61.5704
Polarizability
22.486202
Polar Surface Area
21.59
Rotatable Bonds
0
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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