Molecule

ID:81076

General Information
Structure
Molecular Formula
C₁₂H₁₆Cl₂N₂
Molecular Mass
259.17484
Exact Mass
258.06905388
Charge
0
InChI
InChI=1S/C12H16Cl2N2/c1-16(2)8-4-7-15-9-10-11(13)5-3-6-12(10)14/h3,5-6,9H,4,7-8H2,1-2H3
InChIKey
XZYAUEHGTZLNMC-UHFFFAOYSA-N
Canonic Smiles
CN(CCC/N=C/c1c(Cl)cccc1Cl)C
Isomeric Smiles
N(=C\c1c(cccc1Cl)Cl)/CCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.21948941
LogD (pH = 7.4)
1.0491973
Log P
3.2087793
Molar Refractivity
72.0899
Polarizability
27.37173
Polar Surface Area
15.6
Rotatable Bonds
5
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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