Molecule

ID:30190

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O
Molecular Mass
224.25788
Exact Mass
224.09496301
Charge
0
InChI
InChI=1S/C14H12N2O/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,15H2,1H3
InChIKey
UETQYGACINQVKI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)c1ccccc1C
Isomeric Smiles
c1(nc2c(o1)ccc(c2)N)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.027856
LogD (pH = 7.4)
3.029115
Log P
3.0291312
Molar Refractivity
77.5663
Polarizability
27.064453
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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