Molecule

ID:121180

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂Cl₃N₃
Molecular Mass
268.57068
Exact Mass
267.00968044
Charge
0
InChI
InChI=1S/C9H10ClN3.2ClH/c10-7-1-2-9-8(5-7)12-6-13(9)4-3-11;;/h1-2,5-6H,3-4,11H2;2*1H
InChIKey
HVFZVMIYKAPAAZ-UHFFFAOYSA-N
Canonic Smiles
NCCn1cnc2c1ccc(c2)Cl.Cl.Cl
Isomeric Smiles
n1c2c(n(c1)CCN)ccc(c2)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9261516
LogD (pH = 7.4)
-0.9288956
Log P
1.2902409
Molar Refractivity
52.6198
Polarizability
21.639532
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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