Molecule

ID:7450

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFO
Molecular Mass
158.5574632
Exact Mass
157.99347065
Charge
0
InChI
InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey
KMQWNQKESAHDKD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Cl)F
Isomeric Smiles
c1c(cc(c(c1)C=O)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4324949
LogD (pH = 7.4)
2.4324949
Log P
2.4324949
Molar Refractivity
37.6632
Polarizability
13.867115
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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