Molecule

ID:14347

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂FNO₂
Molecular Mass
293.2917832
Exact Mass
293.08520685
Charge
0
InChI
InChI=1S/C18H12FNO2/c19-11-6-8-15-14(9-11)16(18(21)22)13-7-5-10-3-1-2-4-12(10)17(13)20-15/h1-4,6,8-9H,5,7H2,(H,21,22)
InChIKey
DHPOTFFYENMTRB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C(=O)O)c1c(n2)c2ccccc2CC1
Isomeric Smiles
c12c(c(c3c(n2)ccc(c3)F)C(=O)O)CCc2c1cccc2
Calculated Properties
JChem
Acid pKa
3.5738368
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6051688
LogD (pH = 7.4)
1.1748292
Log P
4.527378
Molar Refractivity
80.4963
Polarizability
32.675663
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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