Molecule

ID:20717

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-10-4-5-12(8-14-10)15-9-11-3-2-6-13-7-11/h4-5,8,11,13H,2-3,6-7,9H2,1H3
InChIKey
VGGVMJBXDMMNCJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)OCC1CCCNC1
Isomeric Smiles
n1c(ccc(OCC2CNCCC2)c1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.562817
LogD (pH = 7.4)
-1.6927066
Log P
0.87518793
Molar Refractivity
59.8314
Polarizability
23.720303
Polar Surface Area
34.15
Rotatable Bonds
3
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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