Molecule

ID:62279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₂N₃
Molecular Mass
263.2858064
Exact Mass
263.12340394
Charge
0
InChI
InChI=1S/C14H15F2N3/c15-14(16)13-6-12(18-19-13)11-8-17-7-10(11)9-4-2-1-3-5-9/h1-6,10-11,14,17H,7-8H2,(H,18,19)
InChIKey
SMJGPBCAXUSGBL-UHFFFAOYSA-N
Canonic Smiles
FC(c1[nH]nc(c1)C1CNCC1c1ccccc1)F
Isomeric Smiles
c1(cc(n[nH]1)C1C(c2ccccc2)CNC1)C(F)F
Calculated Properties
JChem
Acid pKa
13.1750345
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.204632
LogD (pH = 7.4)
-0.89150095
Log P
2.0315826
Molar Refractivity
69.5416
Polarizability
25.98942
Polar Surface Area
40.71
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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