Molecule

ID:37825

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H13N3O.ClH/c1-12-8-7-10-13-11(15-14-10)9-5-3-2-4-6-9;/h2-6,12H,7-8H2,1H3;1H
InChIKey
BXZGNGDZWTVRLG-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)c1ccccc1.Cl
Isomeric Smiles
n1oc(nc1CCNC)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2258744
LogD (pH = 7.4)
0.048212726
Log P
2.0301673
Molar Refractivity
69.2338
Polarizability
22.685833
Polar Surface Area
50.95
Rotatable Bonds
4
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