Molecule

ID:90703

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-12(15)11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/t10?,11-/m1/s1
InChIKey
JQVMMZMKXGQVGQ-RRKGBCIJSA-N
Canonic Smiles
OC(=O)[C@@H]1NCC(C1)Cc1ccccc1
Isomeric Smiles
N1CC(Cc2ccccc2)C[C@@H]1C(=O)O
Calculated Properties
JChem
Acid pKa
2.1154444
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.62542015
LogD (pH = 7.4)
-0.6253056
Log P
-0.6252887
Molar Refractivity
57.2319
Polarizability
22.606915
Polar Surface Area
49.33
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
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Molecule Details
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References
Bioactivity
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