Molecule

ID:28225

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-7(2)9-4-3-8(6-12)5-10(9)11(13)14/h3-7H,1-2H3
InChIKey
VUYAJVSQKPFUSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])C(C)C
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)C=O)C(C)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8707416
LogD (pH = 7.4)
2.8707416
Log P
2.8707416
Molar Refractivity
54.1575
Polarizability
19.551163
Polar Surface Area
62.89
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
Molecule Details
References
Bioactivity
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