Molecule

ID:40784

General Information
Structure
Molecular Formula
C₁₁H₁₀Cl₂N₂
Molecular Mass
241.1165
Exact Mass
240.02210369
Charge
0
InChI
InChI=1S/C11H10Cl2N2/c1-15-11(13)9(7-12)10(14-15)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
CNCQDVYHESLDLK-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(nn(c1Cl)C)c1ccccc1
Isomeric Smiles
c1(c(n(nc1c1ccccc1)C)Cl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3404486
LogD (pH = 7.4)
3.3404787
Log P
3.340479
Molar Refractivity
74.3984
Polarizability
25.400364
Polar Surface Area
17.82
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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