Molecule

ID:7812

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey
UYHCIOZMFCLUDP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1cc(ccc1Oc1ccccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3296292
LogD (pH = 7.4)
3.3296292
Log P
3.3296292
Molar Refractivity
58.0204
Polarizability
22.505632
Polar Surface Area
33.02
Rotatable Bonds
2
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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