Molecule

ID:81189

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₃N₂O
Molecular Mass
309.6193
Exact Mass
308.02499615
Charge
0
InChI
InChI=1S/C12H15Cl3N2O/c13-6-2-1-3-7-16-12(18)17-9-4-5-10(14)11(15)8-9/h4-5,8H,1-3,6-7H2,(H2,16,17,18)
InChIKey
RMWAPYKLFIRCHX-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCNC(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
N(c1cc(c(cc1)Cl)Cl)C(=O)NCCCCCCl
Calculated Properties
JChem
Acid pKa
13.290023
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.995557
LogD (pH = 7.4)
3.9955564
Log P
3.995557
Molar Refractivity
77.5583
Polarizability
29.387648
Polar Surface Area
41.13
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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