Molecule

ID:47200

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-5-3-7-13(11(10)2)15-12-6-4-8-14-9-12;/h3,5,7,12,14H,4,6,8-9H2,1-2H3;1H
InChIKey
YBCDFYRWOALCGT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1C)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(c(ccc1)C)C)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22694452
LogD (pH = 7.4)
0.8805841
Log P
2.9435785
Molar Refractivity
62.5392
Polarizability
24.558575
Polar Surface Area
21.26
Rotatable Bonds
2
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