Molecule

ID:37489

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)
InChIKey
UOQRZCNCICUPJO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C(=O)NCC1c1ccccc1
Isomeric Smiles
C1(=O)C(C(CN1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9512925
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9024513
LogD (pH = 7.4)
-2.5324912
Log P
0.6538464
Molar Refractivity
53.1162
Polarizability
20.558327
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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