Molecule

ID:7909

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈N₂O
Molecular Mass
220.22612
Exact Mass
220.06366289
Charge
0
InChI
InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H
InChIKey
RSAUOQFEFINEDM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1ccc(cc1)C#N
Isomeric Smiles
c1c(ccc(c1)Oc1ccc(cc1)C#N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1857255
LogD (pH = 7.4)
3.1857255
Log P
3.1857255
Molar Refractivity
63.742
Polarizability
24.317516
Polar Surface Area
56.81
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
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Molecule Details
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References
Bioactivity
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