Molecule

ID:48108

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂O
Molecular Mass
285.25364
Exact Mass
284.14221882
Charge
0
InChI
InChI=1S/C12H24N2O.2ClH/c15-12-4-8-14(9-5-12)7-3-11-2-1-6-13-10-11;;/h11-13,15H,1-10H2;2*1H
InChIKey
VKLKSSOSERFYAD-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CCC(CC1)O)CCC1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.179299
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.5570335
LogD (pH = 7.4)
-4.8812323
Log P
0.057156663
Molar Refractivity
63.2878
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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