Molecule

ID:46415

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)9-13-8-5-11-3-6-12-7-4-11;/h11-12H,1,3-9H2,2H3;1H
InChIKey
SCIBHOWIXUDNON-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCC(=C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6614513
LogD (pH = 7.4)
-1.2050616
Log P
1.5701344
Molar Refractivity
56.1096
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