Molecule

ID:56236

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c18-15(19)14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9,14,17H,(H,18,19)
InChIKey
LJTFKOZBLSDENF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Nc2ccccc2N=C1c1ccccc1
Isomeric Smiles
c1ccc2c(c1)NC(C(=N2)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8083844
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1550443
LogD (pH = 7.4)
-0.403027
Log P
2.7462964
Molar Refractivity
74.8212
Polarizability
27.061087
Polar Surface Area
61.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation