Molecule

ID:60200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
InChIKey
WEIMMECSAQVSGO-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1O)NC(=O)C
Isomeric Smiles
c1(c(ccc(c1)NC(=O)C)CCC)O
Calculated Properties
JChem
Acid pKa
9.495668
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.309906
LogD (pH = 7.4)
2.3064995
Log P
2.3099496
Molar Refractivity
57.1451
Polarizability
21.256824
Polar Surface Area
49.33
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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