Molecule

ID:11155

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-5-3-6-11(2)13(10)16-14(17)12-7-4-8-15-9-12/h3,5-6,12,15H,4,7-9H2,1-2H3,(H,16,17)
InChIKey
DZYUAAHPVDFFEQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCNC1)Nc1c(C)cccc1C
Isomeric Smiles
N(C(=O)C1CNCCC1)c1c(cccc1C)C
Calculated Properties
JChem
Acid pKa
14.291157
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.68868995
LogD (pH = 7.4)
0.3298825
Log P
2.4972844
Molar Refractivity
71.281
Polarizability
26.906925
Polar Surface Area
41.13
Rotatable Bonds
2
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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