Molecule

ID:20478

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO
Molecular Mass
253.2709832
Exact Mass
253.09029223
Charge
0
InChI
InChI=1S/C16H12FNO/c17-14-10-12(18)8-9-16(14)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,18H2
InChIKey
KEXVLCLKNBNZSY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cccc2c1cccc2
Isomeric Smiles
O(c1c2c(ccc1)cccc2)c1c(cc(N)cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.772653
LogD (pH = 7.4)
3.7767334
Log P
3.7767859
Molar Refractivity
73.6658
Polarizability
28.97039
Polar Surface Area
35.25
Rotatable Bonds
2
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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