Molecule

ID:38215

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClN₃O
Molecular Mass
249.78076
Exact Mass
249.16079008
Charge
0
InChI
InChI=1S/C11H23N3O.ClH/c1-14(2)9-11(15)13-8-5-10-3-6-12-7-4-10;/h10,12H,3-9H2,1-2H3,(H,13,15);1H
InChIKey
BYBNBKSDYYENGU-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)NCCC1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(NCCC1CCNCC1)CN(C)C.Cl
Calculated Properties
JChem
Acid pKa
16.109285
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.6687865
LogD (pH = 7.4)
-3.5743868
Log P
-0.4441399
Molar Refractivity
62.444
Polarizability
24.521858
Polar Surface Area
44.37
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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