Molecule

ID:24456

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-11-10(13)7-8-12-9-5-3-2-4-6-9/h9,12H,2-8H2,1H3,(H,11,13)
InChIKey
IJCYCRSMCCLDFG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNC1CCCCC1
Isomeric Smiles
C(=O)(CCNC1CCCCC1)NC
Calculated Properties
JChem
Acid pKa
16.470406
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.484053
LogD (pH = 7.4)
-1.8312027
Log P
0.73812157
Molar Refractivity
53.2105
Polarizability
21.152966
Polar Surface Area
41.13
Rotatable Bonds
4
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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