Molecule

ID:51045

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClIN₂
Molecular Mass
357.37359
Exact Mass
355.82128579
Charge
0
InChI
InChI=1S/C7H3BrClIN2/c8-6-2-11-7-5(10)1-4(9)3-12(6)7/h1-3H
InChIKey
NOBLVPYZQVLTTD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(I)c2n(c1)c(Br)cn2
Isomeric Smiles
n12c(ncc1Br)c(cc(c2)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7026966
LogD (pH = 7.4)
2.7608418
Log P
2.7616467
Molar Refractivity
61.5085
Polarizability
23.677858
Polar Surface Area
17.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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