Molecule

ID:75388

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3
InChIKey
NRPMBSHHBFFYBF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1)N
Isomeric Smiles
O(C(=O)/C=C/c1ccc(cc1)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0311718
LogD (pH = 7.4)
2.0430422
Log P
2.0431957
Molar Refractivity
57.278
Polarizability
21.268291
Polar Surface Area
52.32
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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