Molecule

ID:46995

General Information
Structure
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c1-2-9-7-10(13)3-4-12(9)15-11-5-6-14-8-11;/h3-4,7,11,14H,2,5-6,8H2,1H3;1H
InChIKey
ANZQCUWHWBTUTN-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Cl)ccc1OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)CC)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.26913005
LogD (pH = 7.4)
0.21435258
Log P
2.9614077
Molar Refractivity
62.2592
Polarizability
24.628563
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