Molecule

ID:12331

General Information
Structure
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-4-2-1-3-11(12)14-6-5-10-9-16-8-7-13(10)17-14/h1-9H,(H,18,19)
InChIKey
YGSRIJFKQRHUOK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1ccc2c(n1)ccnc2
Isomeric Smiles
C(=O)(c1c(cccc1)c1nc2c(cc1)cncc2)O
Calculated Properties
JChem
Acid pKa
3.3463628
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6371668
LogD (pH = 7.4)
-0.7576736
Log P
1.6809845
Molar Refractivity
69.8428
Polarizability
29.37273
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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