Molecule

ID:130305

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₅
Molecular Mass
288.1763
Exact Mass
287.07045087
Charge
0
InChI
InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
InChIKey
ISZNZKHCRKXXAU-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\C(=N\C(C)C)\N)/Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1ccc(N/C(=N/C(=N/C(C)C)/N)/N)cc1Cl
Calculated Properties
JChem
Acid pKa
19.763754
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.12915386
LogD (pH = 7.4)
0.3077203
Log P
2.4914749
Molar Refractivity
75.8724
Polarizability
28.209476
Polar Surface Area
88.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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