Molecule

ID:118350

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂
Molecular Mass
229.1058
Exact Mass
228.02210369
Charge
0
InChI
InChI=1S/C10H10Cl2N2/c1-14(2)10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10H,1-2H3
InChIKey
FVIKLOJHWDSJPW-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccc(cc1Cl)Cl)N(C)C
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)C(C#N)N(C)C
Calculated Properties
JChem
Acid pKa
13.524189
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8628092
LogD (pH = 7.4)
2.8705208
Log P
2.8706205
Molar Refractivity
59.0195
Polarizability
22.814953
Polar Surface Area
27.03
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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