Molecule

ID:117719

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃O₂
Molecular Mass
229.31922
Exact Mass
229.17902699
Charge
0
InChI
InChI=1S/C11H23N3O2/c1-10(2)9-16-11(15)14-7-5-13(4-3-12)6-8-14/h10H,3-9,12H2,1-2H3
InChIKey
NVFILCVLEDPNOQ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)OCC(C)C
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)OCC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7145197
LogD (pH = 7.4)
-1.6103308
Log P
0.3307939
Molar Refractivity
63.627
Polarizability
25.220654
Polar Surface Area
58.8
Rotatable Bonds
5
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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