Molecule

ID:20648

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H15NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h1,9-10H,3-8H2;1H
InChIKey
LHUOBQUPNJGVKG-UHFFFAOYSA-N
Canonic Smiles
C#CCOCC1CCCNC1.Cl
Isomeric Smiles
C(#C)COCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.730683
LogD (pH = 7.4)
-2.21572
Log P
0.49854815
Molar Refractivity
45.4683
Polarizability
17.69904
Polar Surface Area
21.26
Rotatable Bonds
3
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