Molecule

ID:46966

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-3-11(2)12-6-7-15(14(16)9-12)18-13-5-4-8-17-10-13;/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3;1H
InChIKey
XCFPSMKPPGNZAY-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)Cl)OC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(cc(cc1)C(CC)C)Cl)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0476365
LogD (pH = 7.4)
2.1928852
Log P
4.210358
Molar Refractivity
76.0534
Polarizability
30.179274
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