Molecule

ID:15684

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂O₂
Molecular Mass
293.18952
Exact Mass
292.07453319
Charge
0
InChI
InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-4-2-6-14(9-11)8-10-3-1-5-13-7-10;;/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,16);2*1H
InChIKey
WVZOJODGCYULCM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1cccnc1.Cl.Cl
Isomeric Smiles
c1ncc(cc1)CN1CC(CCC1)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.3996952
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.805316
LogD (pH = 7.4)
-1.8145735
Log P
-1.8036685
Molar Refractivity
60.6717
Polarizability
23.6287
Polar Surface Area
53.43
Rotatable Bonds
3
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