Molecule

ID:36733

General Information
Structure
Molecular Formula
C₁₂H₂₂N₂O
Molecular Mass
210.31588
Exact Mass
210.17321333
Charge
0
InChI
InChI=1S/C12H22N2O/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11/h10-11,13H,2-9H2,1H3
InChIKey
MDXOMBYJWBMJGY-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)C1CCNCC1
Isomeric Smiles
C1CNCCC1C(=O)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5679445
LogD (pH = 7.4)
-1.9835086
Log P
0.65802693
Molar Refractivity
61.3815
Polarizability
24.10781
Polar Surface Area
32.34
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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