Molecule

ID:29189

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO₂
Molecular Mass
278.17488
Exact Mass
277.06363415
Charge
0
InChI
InChI=1S/C12H17Cl2NO2/c1-9(8-15-5-6-16-2)17-12-4-3-10(13)7-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKey
ZIFDJBHBXMBEGE-UHFFFAOYSA-N
Canonic Smiles
COCCNCC(Oc1ccc(cc1Cl)Cl)C
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)OC(CNCCOC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.03275128
LogD (pH = 7.4)
1.3994286
Log P
3.02886
Molar Refractivity
70.3175
Polarizability
28.053213
Polar Surface Area
30.49
Rotatable Bonds
7
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