Molecule

ID:56174

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₅
Molecular Mass
297.26224
Exact Mass
297.06372246
Charge
0
InChI
InChI=1S/C16H11NO5/c1-22-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16(20)21)8-11(10)15(17)19/h2-8H,1H3,(H,20,21)
InChIKey
PJTNHPSITVYQPK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Isomeric Smiles
c1ccc(c(c1)OC)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4899063
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.07359105
LogD (pH = 7.4)
-1.3034066
Log P
2.0749693
Molar Refractivity
77.7085
Polarizability
28.995998
Polar Surface Area
83.91
Rotatable Bonds
3
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