Molecule

ID:117726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃N₃O
Molecular Mass
225.33052
Exact Mass
225.18411237
Charge
0
InChI
InChI=1S/C12H23N3O/c13-5-6-14-7-9-15(10-8-14)12(16)11-3-1-2-4-11/h11H,1-10,13H2
InChIKey
RFVNNXJBTOUUQI-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)C1CCCC1
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)C1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9166458
LogD (pH = 7.4)
-1.805239
Log P
0.13613312
Molar Refractivity
64.8604
Polarizability
25.634712
Polar Surface Area
49.57
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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