Molecule

ID:7516

General Information
Structure
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChIKey
UFPBMVRONDLOGK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)C
Isomeric Smiles
c1c(c(cc(c1)C=O)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3418715
LogD (pH = 7.4)
2.3418715
Log P
2.3418715
Molar Refractivity
37.8996
Polarizability
13.660468
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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