Molecule

ID:41410

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂
Molecular Mass
223.22676
Exact Mass
223.06332853
Charge
0
InChI
InChI=1S/C14H9NO2/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,10H
InChIKey
WPJDNBMSANPKFI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccccc1C#N
Isomeric Smiles
O(c1c(cccc1)C#N)c1c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0421314
LogD (pH = 7.4)
3.0421314
Log P
3.0421314
Molar Refractivity
64.6044
Polarizability
24.382168
Polar Surface Area
50.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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