Molecule

ID:46103

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃O
Molecular Mass
222.07186
Exact Mass
221.01226728
Charge
0
InChI
InChI=1S/C7H8ClN3O.ClH/c8-6-3-10-4-7(11-6)12-5-1-9-2-5;/h3-5,9H,1-2H2;1H
InChIKey
QZSRRZCVSXCLCA-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)OC1CNC1.Cl
Isomeric Smiles
n1c(OC2CNC2)cncc1Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4318502
LogD (pH = 7.4)
-0.7386794
Log P
0.3227478
Molar Refractivity
44.8126
Polarizability
17.555216
Polar Surface Area
47.04
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