Molecule

ID:48142

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉Cl₂N₃O
Molecular Mass
314.29486
Exact Mass
313.16876792
Charge
0
InChI
InChI=1S/C13H27N3O.2ClH/c17-12-11-16-9-7-15(8-10-16)6-3-13-1-4-14-5-2-13;;/h13-14,17H,1-12H2;2*1H
InChIKey
QLLHZUIQASRUIB-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)CCC1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CCNCC2)CCN(CC1)CCO.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593101
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.5463853
LogD (pH = 7.4)
-4.440151
Log P
-0.1818391
Molar Refractivity
71.9829
Polarizability
28.418837
Polar Surface Area
38.74
Rotatable Bonds
5
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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