Molecule

ID:76291

General Information
Structure
Molecular Formula
C₁₅H₂₁Cl₂NO₂
Molecular Mass
318.23874
Exact Mass
317.09493428
Charge
0
InChI
InChI=1S/C15H20ClNO2.ClH/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3;1H
InChIKey
HIWGELPPGDRVAB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCNC1)Cc1ccc(cc1)Cl.Cl
Isomeric Smiles
N1CC(C(=O)OCC)(Cc2ccc(cc2)Cl)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.17723526
LogD (pH = 7.4)
1.5292966
Log P
3.2772732
Molar Refractivity
76.4408
Polarizability
30.326286
Polar Surface Area
38.33
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
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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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