Molecule

ID:24366

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O
Molecular Mass
211.30394
Exact Mass
211.16846231
Charge
0
InChI
InChI=1S/C11H21N3O/c12-14-11(15)7-9-13-8-6-10-4-2-1-3-5-10/h4,13H,1-3,5-9,12H2,(H,14,15)
InChIKey
VEXRSCLQKLJWHG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNCCC1=CCCCC1
Isomeric Smiles
C(=O)(CCNCCC1=CCCCC1)NN
Calculated Properties
JChem
Acid pKa
13.216857
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.7149003
LogD (pH = 7.4)
-1.8582009
Log P
0.494018
Molar Refractivity
63.0567
Polarizability
24.180805
Polar Surface Area
67.15
Rotatable Bonds
6
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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