Molecule

ID:86260

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3
InChIKey
GSRYZPWIWYYROI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N1CCN(CC1)C
Isomeric Smiles
N1(c2c(cccc2)C=O)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.16969883
LogD (pH = 7.4)
1.5063461
Log P
1.6409116
Molar Refractivity
63.1207
Polarizability
23.37015
Polar Surface Area
23.55
Rotatable Bonds
2
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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