Molecule

ID:56546

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀Cl₃NO
Molecular Mass
350.6264
Exact Mass
348.98279699
Charge
0
InChI
InChI=1S/C17H10Cl3NO/c1-9-13(18)7-6-10-12(17(20)22)8-15(21-16(9)10)11-4-2-3-5-14(11)19/h2-8H,1H3
InChIKey
UDNBBVBUUMWVLH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccccc1Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.076399
LogD (pH = 7.4)
6.0763993
Log P
6.0763993
Molar Refractivity
90.509
Polarizability
37.14366
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
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