Molecule

ID:79739

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO
Molecular Mass
267.79428
Exact Mass
267.13899201
Charge
0
InChI
InChI=1S/C15H22NO.ClH/c1-4-16(5-2,6-3)13-12-15(17)14-10-8-7-9-11-14;/h7-13H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKey
GDMILIUFJXAMFR-UHFFFAOYSA-M
Canonic Smiles
CC[N+](/C=C/C(=O)c1ccccc1)(CC)CC.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccccc1)(CC)(CC)CC.[Cl-]
Calculated Properties
JChem
Acid pKa
15.0228615
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.2166915
LogD (pH = 7.4)
-1.2166915
Log P
-1.2166915
Molar Refractivity
84.9724
Polarizability
28.208755
Polar Surface Area
17.07
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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