Molecule

ID:33359

General Information
Structure
Molecular Formula
C₁₀H₉FN₂O
Molecular Mass
192.1896632
Exact Mass
192.06989114
Charge
0
InChI
InChI=1S/C10H9FN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-5,14H,6H2,(H,12,13)
InChIKey
JTVAPDSNHHJHHN-UHFFFAOYSA-N
Canonic Smiles
OCc1c[nH]nc1c1ccc(cc1)F
Isomeric Smiles
c1(c(n[nH]c1)c1ccc(cc1)F)CO
Calculated Properties
JChem
Acid pKa
14.269875
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6857526
LogD (pH = 7.4)
1.6858563
Log P
1.6858577
Molar Refractivity
51.5419
Polarizability
20.18659
Polar Surface Area
48.91
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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