Molecule

ID:30394

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-10-8-12(3-2-11(10)9-14)13-4-6-15-7-5-13/h2-3,8-9H,4-7H2,1H3
InChIKey
OROMOWYDPKSFCT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1C)N1CCOCC1
Isomeric Smiles
N1(c2cc(c(cc2)C=O)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.088711
LogD (pH = 7.4)
2.088713
Log P
2.088713
Molar Refractivity
61.1863
Polarizability
22.453629
Polar Surface Area
29.54
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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