Molecule
ID:102043
General Information
Molecular Formula
C₇H₄ClIN₂
Molecular Mass
278.47753
Exact Mass
277.91077382
Charge
0
InChI
InChI=1S/C7H4ClIN2/c8-5-1-2-6-10-3-4-11(6)7(5)9/h1-4H
InChIKey
IQJVOEGMYXZVMP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1I)ccn2
Isomeric Smiles
c1(c(n2c(cc1)ncc2)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6898996
LogD (pH = 7.4)
2.4594765
Log P
2.5064538
Molar Refractivity
52.4026
Polarizability
20.561747
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
No Data Available
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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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