Molecule

ID:41434

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c1-19-14(18)11-4-2-3-5-12(11)16-13(17)10-6-8-15-9-7-10/h2-9H,1H3,(H,16,17)
InChIKey
WEKMIMCAEGYNET-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1NC(=O)c1ccncc1
Isomeric Smiles
c1(c(NC(=O)c2ccncc2)cccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.375868
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5006938
LogD (pH = 7.4)
2.5004961
Log P
2.500935
Molar Refractivity
71.4599
Polarizability
26.471142
Polar Surface Area
68.29
Rotatable Bonds
4
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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