Molecule

ID:86072

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-4-6-10(14-3)7-5-9/h4-7H,8H2,1-3H3
InChIKey
HQVCWVGSZXODRW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1=NC(CO1)(C)C
Isomeric Smiles
N1=C(c2ccc(cc2)OC)OCC1(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3442974
LogD (pH = 7.4)
2.347903
Log P
2.3479493
Molar Refractivity
58.8572
Polarizability
22.721952
Polar Surface Area
30.82
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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