Molecule

ID:35350

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-7-3-4-9(8(2)5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKey
LRMMWNSBHJFPEE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc(cc1C)C)N
Isomeric Smiles
C(C(c1c(cc(cc1)C)C)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2458057
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3810782
LogD (pH = 7.4)
-0.36314118
Log P
-0.36275044
Molar Refractivity
55.068
Polarizability
21.412483
Polar Surface Area
63.32
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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