Molecule

ID:54824

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆Cl₂N₂O₂
Molecular Mass
337.28514
Exact Mass
336.13713344
Charge
0
InChI
InChI=1S/C15H24N2O2.2ClH/c1-2-19-15-5-3-13(4-6-15)12-17-9-8-16-11-14(17)7-10-18;;/h3-6,14,16,18H,2,7-12H2,1H3;2*1H
InChIKey
CLFUTRIDIRXXLO-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccc(cc1)OCC.Cl.Cl
Isomeric Smiles
C1CN(C(CN1)CCO)Cc1ccc(cc1)OCC.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1579108
LogD (pH = 7.4)
-0.7091157
Log P
1.0074757
Molar Refractivity
77.3958
Polarizability
30.52163
Polar Surface Area
44.73
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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