Molecule

ID:14630

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-8-2-4-10(5-3-8)13-7-9(12)6-11;/h2-5,9,12H,6-7,11H2,1H3;1H
InChIKey
HYBUVZKQPVOIQX-UHFFFAOYSA-N
Canonic Smiles
NCC(COc1ccc(cc1)C)O.Cl
Isomeric Smiles
c1(ccc(cc1)C)OCC(CN)O.Cl
Calculated Properties
JChem
Acid pKa
14.095948
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0657837
LogD (pH = 7.4)
-0.9911931
Log P
0.9016772
Molar Refractivity
51.4747
Polarizability
20.437326
Polar Surface Area
55.48
Rotatable Bonds
4
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