Molecule
ID:65649
General Information
Molecular Formula
C₇H₄ClIN₂
Molecular Mass
278.47753
Exact Mass
277.91077382
Charge
0
InChI
InChI=1S/C7H4ClIN2/c8-7-6-4(9)3-11-5(6)1-2-10-7/h1-3,11H
InChIKey
ZLDNJKJGGOYQER-UHFFFAOYSA-N
Canonic Smiles
Ic1c[nH]c2c1c(Cl)ncc2
Isomeric Smiles
n1ccc2c(c1Cl)c(c[nH]2)I
Calculated Properties
JChem
Acid pKa
12.201273
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5989912
LogD (pH = 7.4)
2.6073868
Log P
2.6075017
Molar Refractivity
54.2162
Polarizability
21.752323
Polar Surface Area
28.68
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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