Molecule

ID:83363

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂NO₂
Molecular Mass
276.159
Exact Mass
275.04798409
Charge
0
InChI
InChI=1S/C12H15Cl2NO2/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17/h1-4H,5-9H2,(H,16,17)
InChIKey
RQAFMLCWWGDNLI-UHFFFAOYSA-N
Canonic Smiles
ClCCN(c1ccc(cc1)CC(=O)O)CCCl
Isomeric Smiles
N(c1ccc(cc1)CC(=O)O)(CCCl)CCCl
Calculated Properties
JChem
Acid pKa
4.515041
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.018788
LogD (pH = 7.4)
0.24901603
Log P
3.0480177
Molar Refractivity
70.4808
Polarizability
26.733532
Polar Surface Area
40.54
Rotatable Bonds
7
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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