Molecule

ID:46417

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO
Molecular Mass
219.75148
Exact Mass
219.13899201
Charge
0
InChI
InChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-6-11-5-3-4-7-12-11;/h11-12H,1,3-9H2,2H3;1H
InChIKey
PEQJLSSMDYDNFU-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCC(=C)C)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5267147
LogD (pH = 7.4)
-1.069765
Log P
1.7048501
Molar Refractivity
55.8592
Polarizability
22.25255
Polar Surface Area
21.26
Rotatable Bonds
5
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