Molecule

ID:48957

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅ClN₂O₂
Molecular Mass
276.8028
Exact Mass
276.16045573
Charge
0
InChI
InChI=1S/C13H24N2O2.ClH/c1-15(10-11-5-8-17-9-6-11)13(16)12-4-2-3-7-14-12;/h11-12,14H,2-10H2,1H3;1H
InChIKey
HPPAZFIXYDTGDW-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1CCCCN1)CC1CCOCC1.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6006024
LogD (pH = 7.4)
-1.0896658
Log P
0.40962362
Molar Refractivity
67.5744
Polarizability
26.645468
Polar Surface Area
41.57
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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