Molecule

ID:76096

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m0/s1
InChIKey
RHZYPIMJMZIAGF-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H]1CNC[C@H]1c1ccccc1
Isomeric Smiles
N1C[C@@H](c2ccccc2)[C@H](C1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9752625
LogD (pH = 7.4)
-1.1756064
Log P
1.2362418
Molar Refractivity
57.656
Polarizability
22.936956
Polar Surface Area
38.33
Rotatable Bonds
3
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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