Molecule

ID:65786

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂
Molecular Mass
205.0844
Exact Mass
204.02210369
Charge
0
InChI
InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3
InChIKey
DTUZXHRABOWYAE-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)C(C)(C)C)Cl
Isomeric Smiles
c1c(c(nnc1Cl)Cl)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9693034
LogD (pH = 7.4)
2.9693034
Log P
2.9693034
Molar Refractivity
54.1625
Polarizability
19.772707
Polar Surface Area
25.78
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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