Molecule

ID:48067

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂O
Molecular Mass
271.22706
Exact Mass
270.12656876
Charge
0
InChI
InChI=1S/C11H22N2O.2ClH/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13;;/h11-12H,1-10H2;2*1H
InChIKey
PANSPPLUBSRNSH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCOCC1.Cl.Cl
Isomeric Smiles
N1(CCC2NCCCC2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4013596
LogD (pH = 7.4)
-2.3184087
Log P
0.57735854
Molar Refractivity
58.4646
Polarizability
23.27968
Polar Surface Area
24.5
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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