Molecule

ID:71689

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-12(15)9-13-7-6-11(8-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey
ACXOIDBFMZDERH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCC(C1)c1ccccc1
Isomeric Smiles
N1(CCC(C1)c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
1.8821503
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1579494
LogD (pH = 7.4)
-1.1581668
Log P
-1.1578984
Molar Refractivity
58.1803
Polarizability
22.605247
Polar Surface Area
40.54
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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