Molecule

ID:116915

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂
Molecular Mass
236.74048
Exact Mass
236.10802623
Charge
0
InChI
InChI=1S/C13H17ClN2/c14-11-3-1-10(2-4-11)13-9-16(8-7-15-13)12-5-6-12/h1-4,12-13,15H,5-9H2
InChIKey
QQIAGCJMLMLXHR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1NCCN(C1)C1CC1
Isomeric Smiles
N1(C2CC2)CC(NCC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5113982
LogD (pH = 7.4)
1.1625745
Log P
2.5080905
Molar Refractivity
67.0423
Polarizability
26.673548
Polar Surface Area
15.27
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