Molecule

ID:21058

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-13-9-3-2-4-10(7-9)14-11-5-6-12-8-11;/h2-4,7,11-12H,5-6,8H2,1H3;1H
InChIKey
XJSZQZSGMUVLHR-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cc(OC)ccc2)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9883931
LogD (pH = 7.4)
-1.4939685
Log P
1.2417017
Molar Refractivity
54.2754
Polarizability
21.684235
Polar Surface Area
30.49
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