Molecule

ID:46282

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-2-17-14(16)12-3-5-13(6-4-12)18-10-11-7-8-15-9-11;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKey
GUCIMULHKXARCM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(OCC2CNCC2)cc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3623667
LogD (pH = 7.4)
-1.2037567
Log P
1.8772064
Molar Refractivity
69.5697
Polarizability
27.269503
Polar Surface Area
47.56
Rotatable Bonds
6
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