Molecule

ID:25374

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c1-9-4-3-5-11-12(16(18)19)8-13(17-15(9)11)14-7-6-10(2)20-14/h3-8H,1-2H3,(H,18,19)
InChIKey
YMOJSLOOCZILHJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1oc(cc1)C)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5714061
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6716834
LogD (pH = 7.4)
0.24192269
Log P
3.5947883
Molar Refractivity
74.5815
Polarizability
30.647276
Polar Surface Area
63.33
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