Molecule

ID:50801

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆ClN₃O
Molecular Mass
275.81804
Exact Mass
275.17644015
Charge
0
InChI
InChI=1S/C13H25N3O.ClH/c1-15(2)12(17)13(6-8-14-9-7-13)16-10-4-3-5-11-16;/h14H,3-11H2,1-2H3;1H
InChIKey
ZSGWTPOAUJRRGX-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1(CCNCC1)N1CCCCC1)C.Cl
Isomeric Smiles
C1(C(=O)N(C)C)(N2CCCCC2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.042381
LogD (pH = 7.4)
-2.8159997
Log P
0.030833762
Molar Refractivity
70.0265
Polarizability
27.476744
Polar Surface Area
35.58
Rotatable Bonds
2
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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