Molecule

ID:84380

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₃N₂
Molecular Mass
241.54534
Exact Mass
239.9987814
Charge
0
InChI
InChI=1S/C8H10Cl2N2.ClH/c1-12(2)5-6-3-7(9)11-8(10)4-6;/h3-4H,5H2,1-2H3;1H
InChIKey
ZSZRVQJCIWLSMR-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(Cl)nc(c1)Cl)C.Cl
Isomeric Smiles
n1c(cc(cc1Cl)CN(C)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.05144256
LogD (pH = 7.4)
1.703053
Log P
2.345414
Molar Refractivity
54.176
Polarizability
20.362293
Polar Surface Area
16.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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