Molecule

ID:25235

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
ODXQCAXQWUZKSB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CN1CCNCC1
Isomeric Smiles
c1(CN2CCNCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9335198
LogD (pH = 7.4)
-0.60777354
Log P
1.221043
Molar Refractivity
61.8193
Polarizability
24.388721
Polar Surface Area
24.5
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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