Molecule

ID:103220

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClN₂
Molecular Mass
220.69802
Exact Mass
220.07672611
Charge
0
InChI
InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H
InChIKey
MIVUDWFNUOXEJM-UHFFFAOYSA-N
Canonic Smiles
NN(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
Cl.NN(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.703729
LogD (pH = 7.4)
2.8631644
Log P
2.8656
Molar Refractivity
69.3476
Polarizability
22.537434
Polar Surface Area
29.26
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