Molecule

ID:24472

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-2-12-10(13)5-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3,(H,12,13)
InChIKey
JMCKRROADKLEHD-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)CCNCc1ccco1
Isomeric Smiles
C(=O)(CCNCc1occc1)NCC
Calculated Properties
JChem
Acid pKa
15.3230915
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2203488
LogD (pH = 7.4)
-0.5017932
Log P
0.08037874
Molar Refractivity
53.9484
Polarizability
20.98108
Polar Surface Area
54.27
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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