Molecule

ID:103723

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6,13H,5H2,1-4H3,(H2,10,12)
InChIKey
UXDLYVBMRUIQCX-UHFFFAOYSA-N
Canonic Smiles
OC(=N)C1CC(N(C1(C)C)O)(C)C
Isomeric Smiles
CC1(C)CC(C(=N)O)C(C)(C)N1O
Calculated Properties
JChem
Acid pKa
5.999927
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0306273
LogD (pH = 7.4)
-0.47028977
Log P
-0.47209448
Molar Refractivity
60.9577
Polarizability
19.90415
Polar Surface Area
67.55
Rotatable Bonds
1
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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