Molecule

ID:116037

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O
Molecular Mass
224.25788
Exact Mass
224.09496301
Charge
0
InChI
InChI=1S/C14H12N2O/c1-10-15-14(17-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3
InChIKey
RXVQFRJYRXWOOR-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)Cc1cccc2c1cccc2
Isomeric Smiles
n1c(onc1C)Cc1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3206267
LogD (pH = 7.4)
3.320627
Log P
3.320627
Molar Refractivity
66.9113
Polarizability
26.07656
Polar Surface Area
38.92
Rotatable Bonds
2
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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