Molecule

ID:44076

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c12-8-2-1-6-5-11-9(10(13)14)4-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
InChIKey
CRAGDYRHPWTZJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NCc2c(C1)cc(cc2)O
Isomeric Smiles
N1C(C(=O)O)Cc2c(C1)ccc(c2)O
Calculated Properties
JChem
Acid pKa
1.4379866
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.5133268
LogD (pH = 7.4)
-1.5232799
Log P
-1.5133067
Molar Refractivity
50.4264
Polarizability
19.623764
Polar Surface Area
69.56
Rotatable Bonds
1
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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