Molecule

ID:85558

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-9(2)11-5-3-10(4-6-11)7-8-12(13)14/h3-9H,1-2H3
InChIKey
PLOZMGIWCWVROY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)/C=C/[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(/C=C/c1ccc(cc1)C(C)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3816571
LogD (pH = 7.4)
3.3816571
Log P
3.3816571
Molar Refractivity
55.2349
Polarizability
21.183556
Polar Surface Area
43.14
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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