Molecule

ID:48836

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClN₃O₂
Molecular Mass
265.78016
Exact Mass
265.1557047
Charge
0
InChI
InChI=1S/C11H23N3O2.ClH/c1-9(2)10(12)11(16)14-5-3-13(4-6-14)7-8-15;/h9-10,15H,3-8,12H2,1-2H3;1H
InChIKey
ZGSYTSZSPQFJJV-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C(C(C)C)N.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C(N)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.868371
LogD (pH = 7.4)
-2.1130605
Log P
-0.893789
Molar Refractivity
63.4509
Polarizability
25.14912
Polar Surface Area
69.8
Rotatable Bonds
4
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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