Molecule

ID:80360

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂
Molecular Mass
243.13238
Exact Mass
242.03775375
Charge
0
InChI
InChI=1S/C11H12Cl2N2/c1-8(14-2)15-10(11(12)13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15)
InChIKey
YQZQICXZRYXFCQ-UHFFFAOYSA-N
Canonic Smiles
CN/C(=N/C(=C(Cl)Cl)c1ccccc1)/C
Isomeric Smiles
N(=C(\NC)/C)/C(=C(Cl)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1725643
LogD (pH = 7.4)
0.017719876
Log P
2.2398326
Molar Refractivity
76.0913
Polarizability
24.90722
Polar Surface Area
24.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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