Molecule

ID:110020

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClN₃
Molecular Mass
233.69678
Exact Mass
233.07197508
Charge
0
InChI
InChI=1S/C12H11N3.ClH/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;/h1-9H,13H2;1H
InChIKey
WMNTYZIRLUBHEE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)/N=N/c1ccccc1.Cl
Isomeric Smiles
Cl.Nc1ccc(cc1)/N=N/c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5486436
LogD (pH = 7.4)
3.5501938
Log P
3.5502136
Molar Refractivity
65.0774
Polarizability
22.716467
Polar Surface Area
50.74
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
References
Bioactivity
Navigation