Molecule

ID:19045

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂N₂O
Molecular Mass
293.148
Exact Mass
292.01701831
Charge
0
InChI
InChI=1S/C14H10Cl2N2O/c1-7-2-3-8(4-11(7)17)14-18-12-6-9(15)5-10(16)13(12)19-14/h2-6H,17H2,1H3
InChIKey
LEFTXXDIDKDWLL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)nc(o2)c1ccc(c(c1)N)C
Isomeric Smiles
n1c(oc2c1cc(cc2Cl)Cl)c1cc(c(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2362742
LogD (pH = 7.4)
4.2372084
Log P
4.2372203
Molar Refractivity
87.1759
Polarizability
30.771866
Polar Surface Area
52.05
Rotatable Bonds
1
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