Molecule

ID:17252

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-8-14(10-4-3-7-16-9-10)17-13-6-2-1-5-11(12)13/h1-9H,(H,18,19)
InChIKey
XQNXXNNXRWYNAS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)c1cccnc1
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cnccc1)C(=O)O
Calculated Properties
Provided by Enamine
CLogP
2.88
H Donor
1
Polar Surface Area
63.08
Rotatable Bonds
2
JChem
Log P
1.74
LogD (pH = 7.4)
-0.71
LogD (pH = 5.5)
0.77
Rotatable Bonds
2
H Donor
1
H Acceptors
4
Polar Surface Area
63.08
Molar Refractivity
69
Polarizability
25.86
Acid pKa
3.48
Lipinski's Rule of Five
true
LOG S
-3.24
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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