Molecule

ID:16227

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey
RLRDUQNUBMAYDS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(C1)Cc1ccccc1
Isomeric Smiles
C1C(CN(C1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.670774
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0361089
LogD (pH = 7.4)
-1.032611
Log P
-1.0316561
Molar Refractivity
58.2276
Polarizability
22.68055
Polar Surface Area
40.54
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
References
Bioactivity
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