Molecule

ID:121414

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;/h1,3,5,10-11H,2,4,6-8H2;1H
InChIKey
ODGWJUOHCRSOAT-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1ccco1.Cl
Isomeric Smiles
c1(occc1)CNCC1OCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4756345
LogD (pH = 7.4)
0.2587568
Log P
1.0104303
Molar Refractivity
49.9516
Polarizability
19.729288
Polar Surface Area
34.4
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