Molecule

ID:43533

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃O₂
Molecular Mass
229.31922
Exact Mass
229.17902699
Charge
0
InChI
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9,12H2,1-3H3
InChIKey
QSYTWBKZNNEKPN-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9048634
LogD (pH = 7.4)
-1.8006744
Log P
0.14045036
Molar Refractivity
63.6884
Polarizability
25.220654
Polar Surface Area
58.8
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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