Molecule

ID:71682

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKey
PYZWKFUBWBLIAN-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CCC(=O)O
Isomeric Smiles
c1cccc(c1)CN(C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8229473
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1047453
LogD (pH = 7.4)
-1.1023072
Log P
-1.0994288
Molar Refractivity
55.3847
Polarizability
21.567545
Polar Surface Area
40.54
Rotatable Bonds
5
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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