Molecule

ID:7029

General Information
Structure
Molecular Formula
C₁₁H₇FO₂
Molecular Mass
190.1704832
Exact Mass
190.04300768
Charge
0
InChI
InChI=1S/C11H7FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChIKey
DEWIOKQDRWFLFW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c2c1cccc2)F
Isomeric Smiles
O=C(O)c1c2c(c(cc1)F)cccc2
Calculated Properties
JChem
Acid pKa
3.786658
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0479246
LogD (pH = 7.4)
-0.5054515
Log P
2.7630074
Molar Refractivity
49.9808
Polarizability
19.811472
Polar Surface Area
37.3
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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