Molecule

ID:62819

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂N₃O
Molecular Mass
292.20476
Exact Mass
291.0905176
Charge
0
InChI
InChI=1S/C12H17N3O.2ClH/c1-13-12(16)11-4-2-3-10(15-11)9-5-7-14-8-6-9;;/h2-4,9,14H,5-8H2,1H3,(H,13,16);2*1H
InChIKey
DJGGMVYLHPCMRJ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cccc(n1)C1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(C(=O)NC)cccc1C1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.551406
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7655344
LogD (pH = 7.4)
-2.0242968
Log P
0.45068812
Molar Refractivity
62.5273
Polarizability
24.036392
Polar Surface Area
54.02
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