Molecule

ID:35937

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKey
JOTMMIYKEOOTNZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccccc1)N=C=O
Isomeric Smiles
C(=NC(C(=O)OC)Cc1ccccc1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8063484
LogD (pH = 7.4)
1.8063484
Log P
1.8063484
Molar Refractivity
53.3048
Polarizability
20.816116
Polar Surface Area
55.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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