Molecule

ID:18202

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₃
Molecular Mass
153.13538
Exact Mass
153.04259309
Charge
0
InChI
InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
InChIKey
XUKWOJNDLIOXSC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccn(c(=O)c1)C
Isomeric Smiles
c1(=O)cc(ccn1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5668533
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2517266
LogD (pH = 7.4)
-3.6787295
Log P
-0.32440817
Molar Refractivity
38.9412
Polarizability
14.216352
Polar Surface Area
57.61
Rotatable Bonds
1
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
References
Bioactivity
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