Molecule

ID:47084

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-11(16)13-2-4-14(5-3-13)17-10-12-6-8-15-9-7-12;/h2-5,12,15H,6-10H2,1H3;1H
InChIKey
FCDDOOZGESLACD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(OCC2CCNCC2)cc1)C.Cl
Calculated Properties
JChem
Acid pKa
16.275723
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7538399
LogD (pH = 7.4)
-1.2930691
Log P
1.477581
Molar Refractivity
67.8984
Polarizability
26.58627
Polar Surface Area
38.33
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