Molecule

ID:46192

General Information
Structure
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-11-8-12(2)15(14(16)9-11)18-7-5-13-4-3-6-17-10-13;/h8-9,13,17H,3-7,10H2,1-2H3;1H
InChIKey
MSLZDICFPWIQJZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(c(cc(c1)C)C)OCCC1CNCCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.76106745
LogD (pH = 7.4)
1.1371175
Log P
3.9953897
Molar Refractivity
76.9838
Polarizability
30.104204
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