Molecule

ID:48099

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₂N₂O
Molecular Mass
273.24294
Exact Mass
272.14221882
Charge
0
InChI
InChI=1S/C11H24N2O.2ClH/c1-2-13(8-9-14)7-5-11-4-3-6-12-10-11;;/h11-12,14H,2-10H2,1H3;2*1H
InChIKey
OPUCFGZCXQHQMM-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCC1CCCNC1)CC.Cl.Cl
Isomeric Smiles
N1CC(CCN(CCO)CC)CCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593294
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.2581363
LogD (pH = 7.4)
-4.772889
Log P
0.40580302
Molar Refractivity
60.6044
Polarizability
23.939003
Polar Surface Area
35.5
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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