Molecule

ID:78385

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
LNYTUARMNSFFBE-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)C(=O)O)CC
Isomeric Smiles
OC(=O)c1ccc(cc1)N(CC)CC
Calculated Properties
JChem
Acid pKa
4.9471574
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5589539
LogD (pH = 7.4)
-0.17688748
Log P
2.0528204
Molar Refractivity
57.24
Polarizability
21.154572
Polar Surface Area
40.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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