Molecule

ID:48952

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClN₃O₂
Molecular Mass
277.79086
Exact Mass
277.1557047
Charge
0
InChI
InChI=1S/C12H23N3O2.ClH/c16-10-9-14-5-7-15(8-6-14)12(17)11-3-1-2-4-13-11;/h11,13,16H,1-10H2;1H
InChIKey
FKESIISELNBORX-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C1CCCCN1.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.1203666
LogD (pH = 7.4)
-2.4385793
Log P
-0.85514563
Molar Refractivity
66.6233
Polarizability
26.264048
Polar Surface Area
55.81
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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