Molecule

ID:65609

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrCl₂INO
Molecular Mass
382.80859
Exact Mass
380.78197908
Charge
0
InChI
InChI=1S/C6H3BrCl2INO/c1-12-4-2(8)3(9)6(10)11-5(4)7/h1H3
InChIKey
DELIJYMGNUJWKI-UHFFFAOYSA-N
Canonic Smiles
COc1c(Br)nc(c(c1Cl)Cl)I
Isomeric Smiles
c1(c(nc(c(c1Cl)OC)Br)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7417982
LogD (pH = 7.4)
3.7417982
Log P
3.7417982
Molar Refractivity
61.5095
Polarizability
24.612707
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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