Molecule

ID:58418

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c12-10(14)11-3-6-1-7(4-11)9(13)8(2-6)5-11/h6-8H,1-5H2,(H2,12,14)
InChIKey
WBKQGUVLWVPHQU-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CC3CC1CC(C2)(C3)C(=O)N
Isomeric Smiles
C1C2CC3(CC1C(=O)C(C2)C3)C(=O)N
Calculated Properties
JChem
Acid pKa
16.173525
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.90555
LogD (pH = 7.4)
0.9055503
Log P
0.9055503
Molar Refractivity
50.9037
Polarizability
20.10625
Polar Surface Area
60.16
Rotatable Bonds
1
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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