Molecule

ID:37697

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-6-3-4-8(7(2)5-6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
UMMCXMRHZHUXPU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)NC(=O)C(=O)O
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0429544
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.22912844
LogD (pH = 7.4)
-1.2723267
Log P
2.1973932
Molar Refractivity
52.7983
Polarizability
19.283419
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation