Molecule

ID:50545

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FIN₂
Molecular Mass
292.0919732
Exact Mass
291.98727455
Charge
0
InChI
InChI=1S/C9H10FIN2/c10-9-7(11)3-4-8(12-9)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKey
QGVGKWCABZEKJP-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(ccc1I)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)F)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3294492
LogD (pH = 7.4)
3.3294494
Log P
3.3294494
Molar Refractivity
60.7778
Polarizability
22.208899
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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