Molecule

ID:20451

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₂O
Molecular Mass
246.2801032
Exact Mass
246.11684133
Charge
0
InChI
InChI=1S/C14H15FN2O/c1-17(2)11-4-3-5-12(9-11)18-14-7-6-10(16)8-13(14)15/h3-9H,16H2,1-2H3
InChIKey
ICGQKXGUHILDOY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cccc(c1)N(C)C
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(N(C)C)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8851972
LogD (pH = 7.4)
2.895224
Log P
2.8953528
Molar Refractivity
71.6442
Polarizability
26.268314
Polar Surface Area
38.49
Rotatable Bonds
3
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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