Molecule
ID:58277
General Information
Molecular Formula
C₂HCl₂N₃
Molecular Mass
137.95544
Exact Mass
136.95475241
Charge
0
InChI
InChI=1S/C2HCl2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
InChIKey
JNTFFNKMQMJJQZ-UHFFFAOYSA-N
Canonic Smiles
Clc1[nH]nc(n1)Cl
Isomeric Smiles
n1c(n[nH]c1Cl)Cl
Calculated Properties
JChem
Acid pKa
6.300071
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3512717
LogD (pH = 7.4)
0.3968665
Log P
1.4134748
Molar Refractivity
29.444
Polarizability
10.489341
Polar Surface Area
41.57
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
No Data Available
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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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