Molecule

ID:48097

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂O
Molecular Mass
271.22706
Exact Mass
270.12656876
Charge
0
InChI
InChI=1S/C11H22N2O.2ClH/c14-11-4-7-13(9-11)6-3-10-2-1-5-12-8-10;;/h10-12,14H,1-9H2;2*1H
InChIKey
KKNTXLXUCDXVDR-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CC(CC1)O)CCC1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.847453
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.6453753
LogD (pH = 7.4)
-5.0649896
Log P
-0.0028030772
Molar Refractivity
58.4224
Polarizability
23.206133
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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