Molecule

ID:46534

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-12-5-3-4-6-13(12)15-10-11-7-8-14-9-11;/h3-6,11,14H,2,7-10H2,1H3;1H
InChIKey
MHAYJTUNMAAVIQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2c(CC)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7646615
LogD (pH = 7.4)
-0.60605156
Log P
2.4749117
Molar Refractivity
62.438
Polarizability
24.637672
Polar Surface Area
21.26
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