Molecule

ID:75293

General Information
Structure
Molecular Formula
C₁₀H₁₀Cl₂N₂
Molecular Mass
229.1058
Exact Mass
228.02210369
Charge
0
InChI
InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3
InChIKey
IVVLMQPTQOLYDX-UHFFFAOYSA-N
Canonic Smiles
CCn1c(C)nc2c1cc(Cl)c(c2)Cl
Isomeric Smiles
n1(c(nc2cc(c(cc12)Cl)Cl)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.572974
LogD (pH = 7.4)
3.1532485
Log P
3.171142
Molar Refractivity
58.6641
Polarizability
23.774399
Polar Surface Area
17.82
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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