Molecule

ID:118894

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₃NO
Molecular Mass
316.61018
Exact Mass
314.99844705
Charge
0
InChI
InChI=1S/C14H12Cl3NO/c1-8-5-11(14(19)7-15)9(2)18(8)13-6-10(16)3-4-12(13)17/h3-6H,7H2,1-2H3
InChIKey
GRSAFVIUVJUDLJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)c1cc(Cl)ccc1Cl)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)CCl)C)c1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.318689
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5264
LogD (pH = 7.4)
3.5264
Log P
3.5264
Molar Refractivity
90.8754
Polarizability
31.167227
Polar Surface Area
22.0
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