Molecule

ID:46358

General Information
Structure
Molecular Formula
C₁₀H₂₂ClNO
Molecular Mass
207.74078
Exact Mass
207.13899201
Charge
0
InChI
InChI=1S/C10H21NO.ClH/c1-2-3-4-7-12-9-10-5-6-11-8-10;/h10-11H,2-9H2,1H3;1H
InChIKey
YUSHOSQYNFIYLZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCCCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6461138
LogD (pH = 7.4)
-1.5395043
Log P
1.5943642
Molar Refractivity
51.7617
Polarizability
20.644295
Polar Surface Area
21.26
Rotatable Bonds
6
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