Molecule

ID:97256

General Information
Structure
Molecular Formula
C₁₅H₁₂FN₃
Molecular Mass
253.2742832
Exact Mass
253.10152562
Charge
0
InChI
InChI=1S/C15H12FN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKey
QCEVUBQDNVSIHB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nn(c(c1)N)c1ccccc1
Isomeric Smiles
n1c(c2ccc(cc2)F)cc(n1c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4937105
LogD (pH = 7.4)
3.4951882
Log P
3.495207
Molar Refractivity
73.354
Polarizability
29.161612
Polar Surface Area
43.84
Rotatable Bonds
2
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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