Molecule

ID:15663

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄F₂N₂O
Molecular Mass
264.2705664
Exact Mass
264.10741952
Charge
0
InChI
InChI=1S/C14H14F2N2O/c15-14(16)19-13-5-3-11(4-6-13)8-18-10-12-2-1-7-17-9-12/h1-7,9,14,18H,8,10H2
InChIKey
GABBYDPVJJDXIW-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)CNCc1cccnc1)F
Isomeric Smiles
c1(CNCc2cccnc2)ccc(cc1)OC(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.03727181
LogD (pH = 7.4)
1.6183084
Log P
2.8074822
Molar Refractivity
68.2338
Polarizability
26.159449
Polar Surface Area
34.15
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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