Molecule

ID:18950

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆Cl₂N₂
Molecular Mass
271.18554
Exact Mass
270.06905388
Charge
0
InChI
InChI=1S/C13H14N2.2ClH/c1-10-2-4-11(5-3-10)13(14)12-6-8-15-9-7-12;;/h2-9,13H,14H2,1H3;2*1H
InChIKey
ODCQSZKDWMPGIA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(c1ccncc1)N.Cl.Cl
Isomeric Smiles
C(c1ccc(cc1)C)(c1ccncc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69182265
LogD (pH = 7.4)
0.7053015
Log P
2.1790035
Molar Refractivity
61.6985
Polarizability
24.20213
Polar Surface Area
38.91
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
暂无数据
点击上传数据
References
Bioactivity
Navigation