Molecule

ID:12896

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O
Molecular Mass
224.25788
Exact Mass
224.09496301
Charge
0
InChI
InChI=1S/C14H12N2O/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
InChIKey
TZIKYKSWQZSLOO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C
Isomeric Smiles
c1(ccc2c(c1)nc(o2)c1ccc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0282454
LogD (pH = 7.4)
3.02912
Log P
3.0291312
Molar Refractivity
77.5663
Polarizability
27.065495
Polar Surface Area
52.05
Rotatable Bonds
1
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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