Molecule

ID:67656

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO
Molecular Mass
250.0089332
Exact Mass
249.92909097
Charge
0
InChI
InChI=1S/C7H4FIO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey
LMDKAOXRCQPCAW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1F)I
Isomeric Smiles
C(=O)c1c(cc(cc1)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7573946
LogD (pH = 7.4)
2.7573946
Log P
2.7573946
Molar Refractivity
46.2209
Polarizability
17.303522
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
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References
Bioactivity
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