Molecule

ID:20448

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClFNO
Molecular Mass
237.6573632
Exact Mass
237.03566981
Charge
0
InChI
InChI=1S/C12H9ClFNO/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7H,15H2
InChIKey
JARRKMGXZDICCS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cccc(c1)Cl
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3891602
LogD (pH = 7.4)
3.391326
Log P
3.3913536
Molar Refractivity
62.0204
Polarizability
23.343048
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