Molecule

ID:34491

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-14-8-6-10(7-9-14)15-12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKey
BSAURXAWMKQULY-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)Oc1ccccc1N
Isomeric Smiles
c1cc(c(cc1)N)OC1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9677727
LogD (pH = 7.4)
-0.21457464
Log P
1.0134547
Molar Refractivity
62.6727
Polarizability
23.99922
Polar Surface Area
38.49
Rotatable Bonds
2
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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