Molecule

ID:6814

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂F₂NO
Molecular Mass
318.1460464
Exact Mass
317.01857578
Charge
0
InChI
InChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2
InChIKey
MIUDTZXWNHEWKG-UHFFFAOYSA-N
Canonic Smiles
ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
Isomeric Smiles
c1cc(c(c(c1)Cl)CN(Cc1c(cccc1Cl)F)O)F
Calculated Properties
JChem
Acid pKa
15.295122
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.367713
LogD (pH = 7.4)
4.3677135
Log P
4.3677135
Molar Refractivity
75.7256
Polarizability
28.947227
Polar Surface Area
23.47
Rotatable Bonds
4
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