Molecule

ID:48136

General Information
Structure
Molecular Formula
C₁₂H₂₆Cl₂N₂O
Molecular Mass
285.25364
Exact Mass
284.14221882
Charge
0
InChI
InChI=1S/C12H24N2O.2ClH/c15-12-4-9-14(10-5-12)8-3-11-1-6-13-7-2-11;;/h11-13,15H,1-10H2;2*1H
InChIKey
LYLYMDUWTPZSNH-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)CCC1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCC(CC1)O)CCC1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.179297
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.6340976
LogD (pH = 7.4)
-4.88235
Log P
-0.020797068
Molar Refractivity
63.3648
Polarizability
25.049826
Polar Surface Area
35.5
Rotatable Bonds
3
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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