Molecule

ID:67862

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₃N₃
Molecular Mass
240.51752
Exact Mass
238.97838031
Charge
0
InChI
InChI=1S/C7H7Cl2N3.ClH/c8-6-4-3-10-2-1-5(4)11-7(9)12-6;/h10H,1-3H2;1H
InChIKey
MDEUNLWIRLXZJC-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CCNCc2c(n1)Cl.Cl
Isomeric Smiles
c1(nc2c(c(n1)Cl)CNCC2)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.82405746
LogD (pH = 7.4)
0.88192374
Log P
1.4105684
Molar Refractivity
50.0668
Polarizability
18.801998
Polar Surface Area
37.81
Rotatable Bonds
0
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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