Molecule
ID:43292
General Information
Molecular Formula
C₇H₃Cl₂IN₂
Molecular Mass
312.92259
Exact Mass
311.87180147
Charge
0
InChI
InChI=1S/C7H3Cl2IN2/c8-4-1-5(9)7-11-2-6(10)12(7)3-4/h1-3H
InChIKey
SGUPSXOQJZJCOX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2n(c1)c(I)cn2
Isomeric Smiles
n12c(ncc1I)c(cc(c2)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.01909
LogD (pH = 7.4)
3.0699472
Log P
3.070642
Molar Refractivity
57.2074
Polarizability
22.58017
Polar Surface Area
17.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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