Molecule

ID:11729

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClFO
Molecular Mass
146.5467632
Exact Mass
145.99347065
Charge
0
InChI
InChI=1S/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
ZKMUKBBWORLNLA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)O
Isomeric Smiles
c1c(cc(c(c1)O)F)Cl
Calculated Properties
JChem
Acid pKa
7.917045
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4147806
LogD (pH = 7.4)
2.3021502
Log P
2.4164271
Molar Refractivity
33.0601
Polarizability
12.572558
Polar Surface Area
20.23
Rotatable Bonds
0
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
References
Bioactivity
Navigation