Molecule

ID:51635

General Information
Structure
MolImage
Molecular Formula
C₉H₉FI₂N₂
Molecular Mass
417.9885032
Exact Mass
417.88392252
Charge
0
InChI
InChI=1S/C9H9FI2N2/c10-9-8(12)6(11)5-7(13-9)14-3-1-2-4-14/h5H,1-4H2
InChIKey
YEFDZAFDZLXQMO-UHFFFAOYSA-N
Canonic Smiles
Ic1c(I)cc(nc1F)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1I)N1CCCC1)F)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.258394
LogD (pH = 7.4)
4.258394
Log P
4.258394
Molar Refractivity
74.1403
Polarizability
27.73351
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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