Molecule

ID:21035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₃NO
Molecular Mass
268.56738
Exact Mass
266.99844705
Charge
0
InChI
InChI=1S/C10H11Cl2NO.ClH/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKey
GRHALAVOIZSMES-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.62155807
LogD (pH = 7.4)
-0.10173234
Log P
2.6074624
Molar Refractivity
57.4218
Polarizability
22.946178
Polar Surface Area
21.26
Rotatable Bonds
2
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