Molecule

ID:28894

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂NO
Molecular Mass
282.16512
Exact Mass
281.0374194
Charge
0
InChI
InChI=1S/C14H13Cl2NO/c15-13-7-6-11(10-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKey
SQOXYKLKQYSQKZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)NCCOc1ccccc1
Isomeric Smiles
c1(cc(NCCOc2ccccc2)ccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.294179
LogD (pH = 7.4)
4.2981124
Log P
4.298163
Molar Refractivity
76.4136
Polarizability
29.175867
Polar Surface Area
21.26
Rotatable Bonds
5
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