Molecule

ID:20481

General Information
Structure
Molecular Formula
C₁₁H₉FN₂O
Molecular Mass
204.2003632
Exact Mass
204.06989114
Charge
0
InChI
InChI=1S/C11H9FN2O/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h1-7H,13H2
InChIKey
LZWSCQVAQJVIJQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cccnc1
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.521488
LogD (pH = 7.4)
1.5689914
Log P
1.5696366
Molar Refractivity
55.0587
Polarizability
20.565598
Polar Surface Area
48.14
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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