Molecule

ID:20729

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉Cl₂NO
Molecular Mass
288.21276
Exact Mass
287.08436959
Charge
0
InChI
InChI=1S/C14H19Cl2NO/c1-9-6-12(14(16)10(2)13(9)15)18-8-11-4-3-5-17-7-11/h6,11,17H,3-5,7-8H2,1-2H3
InChIKey
ZPCNFAPYQMLHOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCC2CCCNC2)c(c(c1Cl)C)Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)OCC1CNCCC1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97453517
LogD (pH = 7.4)
1.6321226
Log P
4.1964226
Molar Refractivity
77.0888
Polarizability
30.13096
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
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation