Molecule

ID:75118

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)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3
InChIKey
XFVZSRRZZNLWBW-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(c(c1)O)C=O)CC
Isomeric Smiles
O=Cc1c(cc(cc1)N(CC)CC)O
Calculated Properties
JChem
Acid pKa
8.558073
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.849496
LogD (pH = 7.4)
2.8247929
Log P
2.8538425
Molar Refractivity
58.5487
Polarizability
21.3304
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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