Molecule

ID:85522

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-7H,1-2H3
InChIKey
RTHJCENCGDYCIY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)/C=C(/[N+](=O)[O-])\C
Isomeric Smiles
[N+](=O)(/C(=C/c1cccc(c1)OC)/C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.042016
LogD (pH = 7.4)
2.042016
Log P
2.042016
Molar Refractivity
54.3306
Polarizability
20.108027
Polar Surface Area
55.05
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
No Data Available
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Molecule Details
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References
Bioactivity
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