Molecule

ID:7787

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
InChIKey
ILCLJQFCMRCPNM-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)c1ccccc1N)C
Isomeric Smiles
c1ccc(c(c1)C(=O)OCC(C)C)N
Calculated Properties
JChem
Acid pKa
19.397947
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.041876
LogD (pH = 7.4)
3.042097
Log P
3.0421
Molar Refractivity
56.5279
Polarizability
21.41135
Polar Surface Area
52.32
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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