Molecule

ID:39682

General Information
Structure
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKey
CZOSHSPOVINZEF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C(CC(=O)O)N
Isomeric Smiles
C(C(=O)O)C(c1ccc(cc1)CC)N
Calculated Properties
JChem
Acid pKa
4.1918716
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.44775313
LogD (pH = 7.4)
-0.4320386
Log P
-0.4315776
Molar Refractivity
54.6278
Polarizability
21.488714
Polar Surface Area
63.32
Rotatable Bonds
4
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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