Molecule

ID:97242

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-7-3-6(9)2-1-5(7)4-10-11/h1-4,11H
InChIKey
NUGXRILUPQIOBK-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1ccc(cc1Cl)F
Isomeric Smiles
N(=C\c1c(cc(cc1)F)Cl)/O
Calculated Properties
JChem
Acid pKa
7.168412
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4327867
LogD (pH = 7.4)
2.0129936
Log P
2.4419746
Molar Refractivity
41.4849
Polarizability
15.230805
Polar Surface Area
32.59
Rotatable Bonds
1
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