Molecule

ID:121203

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₃N₃
Molecular Mass
282.59726
Exact Mass
281.0253305
Charge
0
InChI
InChI=1S/C10H12ClN3.2ClH/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12;;/h2-3,6H,4-5,12H2,1H3;2*1H
InChIKey
OTTQXARQBMOMRM-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(n1C)ccc(c2)Cl.Cl.Cl
Isomeric Smiles
n1c(n(c2c1cc(cc2)Cl)C)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6507865
LogD (pH = 7.4)
-0.67128855
Log P
1.5231724
Molar Refractivity
57.1698
Polarizability
23.402473
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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