Molecule

ID:20148

General Information
Structure
Molecular Formula
C₁₂H₁₀FNO
Molecular Mass
203.2123032
Exact Mass
203.07464217
Charge
0
InChI
InChI=1S/C12H10FNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
SMWBBLSINLFYAB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1)F
Isomeric Smiles
O(c1ccc(N)cc1)c1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.769945
LogD (pH = 7.4)
2.787086
Log P
2.787309
Molar Refractivity
57.2156
Polarizability
21.444275
Polar Surface Area
35.25
Rotatable Bonds
2
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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