Molecule

ID:31347

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N₃
Molecular Mass
246.13632
Exact Mass
245.04865279
Charge
0
InChI
InChI=1S/C10H11N3.2ClH/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13;;/h1-7H,8,11H2;2*1H
InChIKey
DSTWOKUBDSQDDQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cn1cccn1.Cl.Cl
Isomeric Smiles
n1(nccc1)Cc1ccc(N)cc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2573932
LogD (pH = 7.4)
1.2961359
Log P
1.296653
Molar Refractivity
64.2744
Polarizability
19.632097
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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