Molecule

ID:85462

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄Cl₂N₂O₂
Molecular Mass
385.24336
Exact Mass
384.04323306
Charge
0
InChI
InChI=1S/C20H14ClN2O2.ClH/c21-15-8-9-17-18(12-15)22-19(25-20(17)24)16-7-3-2-6-14(16)13-23-10-4-1-5-11-23;/h1-12H,13H2;1H/q+1;/p-1
InChIKey
LVRPYCITHGFTLS-UHFFFAOYSA-M
Canonic Smiles
Clc1ccc2c(c1)nc(oc2=O)c1ccccc1C[n+]1ccccc1.[Cl-]
Isomeric Smiles
n1c(c2ccccc2C[n+]2ccccc2)oc(=O)c2c1cc(cc2)Cl.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.52425253
LogD (pH = 7.4)
0.52425253
Log P
0.52425253
Molar Refractivity
99.5265
Polarizability
36.864697
Polar Surface Area
42.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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