Molecule

ID:19600

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂FNO
Molecular Mass
272.1024232
Exact Mass
270.99669746
Charge
0
InChI
InChI=1S/C12H8Cl2FNO/c13-8-2-1-3-11(16)12(8)17-7-4-5-10(15)9(14)6-7/h1-6H,16H2
InChIKey
UOURRDOZYOBKFC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1F)Oc1c(N)cccc1Cl
Isomeric Smiles
c1(Oc2cc(c(cc2)F)Cl)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.965565
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9952278
LogD (pH = 7.4)
3.9953961
Log P
3.9953983
Molar Refractivity
66.8252
Polarizability
25.317858
Polar Surface Area
35.25
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