Molecule

ID:57050

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-2-11-3-4-15-13(9-11)14(17(20)21)10-16(19-15)12-5-7-18-8-6-12/h3-10H,2H2,1H3,(H,20,21)
InChIKey
ZTMORCBSJDCVCN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccncc1)C(=O)O
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccncc1)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.4262419
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7316852
LogD (pH = 7.4)
0.25228623
Log P
2.7141242
Molar Refractivity
79.485
Polarizability
32.987324
Polar Surface Area
63.08
Rotatable Bonds
3
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