Molecule

ID:98110

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrClFN₂
Molecular Mass
263.4941032
Exact Mass
261.93086607
Charge
0
InChI
InChI=1S/C8H5BrClFN2/c1-13-7-3-5(9)6(11)2-4(7)8(10)12-13/h2-3H,1H3
InChIKey
AIKQPKXPTSVBRM-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2n(C)nc(c2cc1F)Cl
Isomeric Smiles
n1(c2cc(c(cc2c(n1)Cl)F)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1556594
LogD (pH = 7.4)
3.1556602
Log P
3.1556602
Molar Refractivity
64.9944
Polarizability
20.968042
Polar Surface Area
17.82
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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