Molecule

ID:20953

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-11-5-3-4-6-13(11)15-12-7-9-14-10-8-12;/h3-6,12,14H,2,7-10H2,1H3;1H
InChIKey
YLXWYBRONBFZSP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1OC1CCNCC1.Cl
Isomeric Smiles
c1(OC2CCNCC2)c(CC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7900759
LogD (pH = 7.4)
0.054242805
Log P
2.4173229
Molar Refractivity
62.3198
Polarizability
24.63751
Polar Surface Area
21.26
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