Molecule

ID:35537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-2-14-10(13)8-5-3-4-6-9(8)11-7-12/h3-6H,2H2,1H3
InChIKey
HXVGHXDQGUPUKY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccccc1N=C=O
Isomeric Smiles
c1(C(=O)OCC)c(N=C=O)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2430863
LogD (pH = 7.4)
2.2430863
Log P
2.2430863
Molar Refractivity
51.9039
Polarizability
18.933245
Polar Surface Area
55.73
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation