Molecule

ID:23901

General Information
Structure
Molecular Formula
C₁₀H₁₅Cl₂N₃
Molecular Mass
248.1522
Exact Mass
247.06430286
Charge
0
InChI
InChI=1S/C10H13N3.2ClH/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13;;/h4-6H,3,11H2,1-2H3;2*1H
InChIKey
QFDZWBFEBAPLOT-UHFFFAOYSA-N
Canonic Smiles
CCn1c(C)nc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
c12c(nc(n1CC)C)cc(cc2)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22679465
LogD (pH = 7.4)
0.7062198
Log P
1.1341268
Molar Refractivity
53.7549
Polarizability
21.174627
Polar Surface Area
43.84
Rotatable Bonds
1
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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