Molecule

ID:114271

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FN₃
Molecular Mass
241.2635832
Exact Mass
241.10152562
Charge
0
InChI
InChI=1S/C14H12FN3/c1-9-3-2-8-18-13(16)12(17-14(9)18)10-4-6-11(15)7-5-10/h2-8H,16H2,1H3
InChIKey
OXFDLBOOZOCENF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc2n(c1N)cccc2C
Isomeric Smiles
n12c(nc(c1N)c1ccc(cc1)F)c(ccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3598828
LogD (pH = 7.4)
2.4739811
Log P
2.7091136
Molar Refractivity
69.9119
Polarizability
26.778997
Polar Surface Area
43.32
Rotatable Bonds
1
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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