Molecule

ID:120652

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FN₂O
Molecular Mass
228.2217632
Exact Mass
228.06989114
Charge
0
InChI
InChI=1S/C13H9FN2O/c14-9-3-1-2-8(6-9)13-16-11-7-10(15)4-5-12(11)17-13/h1-7H,15H2
InChIKey
BSZCWDQTALYLKJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)c1cccc(c1)F
Isomeric Smiles
n1c(oc2c1cc(N)cc2)c1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6576717
LogD (pH = 7.4)
2.6584022
Log P
2.6584117
Molar Refractivity
72.7415
Polarizability
24.884573
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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