Molecule

ID:46976

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-2-10-5-6-13(12(14)8-10)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,2-4,7,9H2,1H3;1H
InChIKey
VVOMHAIUUQSFLJ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)Cl)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(cc(cc1)CC)Cl)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31577167
LogD (pH = 7.4)
1.4597477
Log P
3.4787705
Molar Refractivity
66.9038
Polarizability
26.49535
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation