Molecule

ID:6849

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂O
Molecular Mass
192.1896632
Exact Mass
192.06989114
Charge
0
InChI
InChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3
InChIKey
ZGQREXNGDAXSQI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(C=O)ccc1N(C)C
Isomeric Smiles
c1cc(c(c(c1C=O)F)C#N)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7925899
LogD (pH = 7.4)
1.7925901
Log P
1.7925901
Molar Refractivity
53.0086
Polarizability
18.580406
Polar Surface Area
44.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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