Molecule

ID:51634

General Information
Structure
MolImage
Molecular Formula
C₉H₉BrFIN₂
Molecular Mass
370.9880332
Exact Mass
369.89778652
Charge
0
InChI
InChI=1S/C9H9BrFIN2/c10-8-6(12)5-7(13-9(8)11)14-3-1-2-4-14/h5H,1-4H2
InChIKey
AXJXEMONAZPBNR-UHFFFAOYSA-N
Canonic Smiles
Brc1c(I)cc(nc1F)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1I)N1CCCC1)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0982018
LogD (pH = 7.4)
4.0982018
Log P
4.0982018
Molar Refractivity
68.4006
Polarizability
25.339226
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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