Molecule

ID:24138

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃Cl₂N₃
Molecular Mass
234.12562
Exact Mass
233.04865279
Charge
0
InChI
InChI=1S/C9H11N3.2ClH/c1-2-12-6-11-8-5-7(10)3-4-9(8)12;;/h3-6H,2,10H2,1H3;2*1H
InChIKey
DRXMQJJUWZCXFB-UHFFFAOYSA-N
Canonic Smiles
CCn1cnc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
c12c(ncn1CC)cc(cc2)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13729142
LogD (pH = 7.4)
0.85232204
Log P
1.011062
Molar Refractivity
49.3142
Polarizability
19.411018
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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