Molecule

ID:84357

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-12(2)8-11(9-13)14-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
PVACQTDAHXFXHO-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)/C(=C/N(C)C)/C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2142205
LogD (pH = 7.4)
1.2471248
Log P
1.2475609
Molar Refractivity
56.2978
Polarizability
21.17379
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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