Molecule

ID:51599

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FIN₂
Molecular Mass
292.0919732
Exact Mass
291.98727455
Charge
0
InChI
InChI=1S/C9H10FIN2/c10-8-5-7(11)6-9(12-8)13-3-1-2-4-13/h5-6H,1-4H2
InChIKey
UHCWRCSZYWGQCO-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(F)nc(c1)N1CCCC1
Isomeric Smiles
c1c(nc(cc1I)F)N1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.329449
LogD (pH = 7.4)
3.3294494
Log P
3.3294494
Molar Refractivity
60.7778
Polarizability
22.19242
Polar Surface Area
16.13
Rotatable Bonds
1
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
References
Bioactivity
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