Molecule

ID:96368

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₂FN₂O₂
Molecular Mass
313.1112832
Exact Mass
311.98686105
Charge
0
InChI
InChI=1S/C13H7Cl2FN2O2/c14-10-4-1-5-11(16)9(10)7-18-20-13(19)8-3-2-6-17-12(8)15/h1-7H
InChIKey
YPAYEOPMCQRFDE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)O/N=C/c1c(F)cccc1Cl
Isomeric Smiles
N(=C\c1c(cccc1F)Cl)/OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2455907
LogD (pH = 7.4)
4.245591
Log P
4.245591
Molar Refractivity
75.0161
Polarizability
27.82628
Polar Surface Area
51.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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