Molecule

ID:95669

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKey
RMFFAIVQBHBAQI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1cccc(c1CN)F
Isomeric Smiles
O(c1c(c(ccc1)F)CN)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.20878819
LogD (pH = 7.4)
1.3041819
Log P
2.584332
Molar Refractivity
67.4518
Polarizability
26.18716
Polar Surface Area
44.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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