Molecule

ID:31477

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-15-12-8-10(9-14)4-5-11(12)13-6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKey
DHEGLVHUQIEQEA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0415285
LogD (pH = 7.4)
2.0419133
Log P
2.0419183
Molar Refractivity
61.0748
Polarizability
22.514687
Polar Surface Area
29.54
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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