Molecule

ID:33164

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClN₂O
Molecular Mass
244.67636
Exact Mass
244.0403406
Charge
0
InChI
InChI=1S/C13H9ClN2O/c14-9-4-5-12-11(7-9)16-13(17-12)8-2-1-3-10(15)6-8/h1-7H,15H2
InChIKey
QZWFTMFERGNVLX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(o2)c1cccc(c1)N
Isomeric Smiles
n1c(oc2c1cc(cc2)Cl)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1180184
LogD (pH = 7.4)
3.1197324
Log P
3.1197543
Molar Refractivity
77.3299
Polarizability
27.116762
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