Molecule

ID:117727

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N₃O
Molecular Mass
239.3571
Exact Mass
239.19976244
Charge
0
InChI
InChI=1S/C13H25N3O/c14-6-7-15-8-10-16(11-9-15)13(17)12-4-2-1-3-5-12/h12H,1-11,14H2
InChIKey
QOEZKABHHOSGBS-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)C1CCCCC1
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)C1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4720788
LogD (pH = 7.4)
-1.3606703
Log P
0.58070177
Molar Refractivity
69.4614
Polarizability
27.476744
Polar Surface Area
49.57
Rotatable Bonds
3
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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