Molecule

ID:43345

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₄
Molecular Mass
197.18794
Exact Mass
197.06880784
Charge
0
InChI
InChI=1S/C9H11NO4/c1-9(2,3)14-8(13)10-6(11)4-5-7(10)12/h4-5H,1-3H3
InChIKey
BRHCESOODXPUKU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1C(=O)C=CC1=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0259562
LogD (pH = 7.4)
1.0259562
Log P
1.0259562
Molar Refractivity
48.3465
Polarizability
18.493738
Polar Surface Area
63.68
Rotatable Bonds
2
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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