Molecule

ID:17854

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12/h1-9H,(H,18,19)
InChIKey
WSYCFYURDIXHNT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)c1ccccn1
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ncccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6531155
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0530857
LogD (pH = 7.4)
-0.36739296
Log P
2.622679
Molar Refractivity
69.4708
Polarizability
29.38479
Polar Surface Area
63.08
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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