Molecule

ID:35801

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10/h7-8,12H,3-6H2,1-2H3,(H,11,13)
InChIKey
WCIJYVHCHODWEJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2CCCCC2NC1(C)C
Isomeric Smiles
C1(=O)NC2C(NC1(C)C)CCCC2
Calculated Properties
JChem
Acid pKa
14.446835
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1270525
LogD (pH = 7.4)
0.5341088
Log P
0.9463124
Molar Refractivity
50.8185
Polarizability
20.424976
Polar Surface Area
41.13
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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