Molecule

ID:15812

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N₃O
Molecular Mass
239.3571
Exact Mass
239.19976244
Charge
0
InChI
InChI=1S/C13H25N3O/c14-15-13(17)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKey
KNJUMRGGNBYWIU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCCN(C1)CC1CCCCC1
Isomeric Smiles
C1C(CN(CC1)CC1CCCCC1)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.3012705
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0558243
LogD (pH = 7.4)
-1.4607162
Log P
1.4300525
Molar Refractivity
70.2673
Polarizability
27.376463
Polar Surface Area
58.36
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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