Molecule

ID:61618

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂N₃
Molecular Mass
242.10456
Exact Mass
241.01735266
Charge
0
InChI
InChI=1S/C10H9Cl2N3/c1-15(7-4-2-3-5-7)9-6-8(11)13-10(12)14-9/h2-4,6H,5H2,1H3
InChIKey
UKHNQIUGBHLCEE-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)nc(c1)N(C1=CC=CC1)C
Isomeric Smiles
c1(nc(cc(n1)Cl)N(C)C1=CC=CC1)Cl
Calculated Properties
JChem
Acid pKa
14.074803
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1455324
LogD (pH = 7.4)
3.1455326
Log P
3.1455326
Molar Refractivity
67.8523
Polarizability
23.488173
Polar Surface Area
29.02
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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