Molecule

ID:129494

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3
InChIKey
YYIUHLPAZILPSG-UHFFFAOYSA-N
Canonic Smiles
NC1CCC2N(C1)CCC2OC(=O)C
Isomeric Smiles
CC(=O)OC1CCN2C1CCC(C2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.1475635
LogD (pH = 7.4)
-2.9222665
Log P
-0.38225746
Molar Refractivity
52.8297
Polarizability
21.515053
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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