Molecule

ID:83366

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₃
Molecular Mass
271.73992
Exact Mass
271.09752112
Charge
0
InChI
InChI=1S/C13H18NO3.ClH/c1-14(2,3)9-11(15)10-4-5-12-13(8-10)17-7-6-16-12;/h4-5,8H,6-7,9H2,1-3H3;1H/q+1;/p-1
InChIKey
UYXUIFGZQQXUPW-UHFFFAOYSA-M
Canonic Smiles
O=C(c1ccc2c(c1)OCCO2)C[N+](C)(C)C.[Cl-]
Isomeric Smiles
[N+](CC(=O)c1ccc2c(c1)OCCO2)(C)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.2268124
LogD (pH = 7.4)
-3.2268124
Log P
-3.2268124
Molar Refractivity
76.7608
Polarizability
25.360138
Polar Surface Area
35.53
Rotatable Bonds
3
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