Molecule

ID:55125

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-6-3-4-10-8(5-6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H
InChIKey
PSMNLLYQCSNDKF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(c1)C(N)C.Cl.Cl
Isomeric Smiles
c1cnc(cc1C)C(N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7954209
LogD (pH = 7.4)
-0.34459385
Log P
1.0449994
Molar Refractivity
41.3874
Polarizability
16.41597
Polar Surface Area
38.91
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