Molecule

ID:10938

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)
InChIKey
HLIJMHKQYSUDOJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(n2c1ccccc1)C
Isomeric Smiles
c1(nc2c(n1c1ccccc1)ccc(C(=O)O)c2)C
Calculated Properties
JChem
Acid pKa
2.1425881
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2257394
LogD (pH = 7.4)
0.10421336
Log P
1.3174379
Molar Refractivity
81.659
Polarizability
29.03034
Polar Surface Area
55.12
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