Molecule

ID:80030

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)17-14-9-15(19)16(20)13-4-2-1-3-12(13)14/h1-9,17-18H
InChIKey
ZBFVKGMCQZUOEW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)NC1=CC(=O)C(=O)c2c1cccc2
Isomeric Smiles
N(C1=CC(=O)C(=O)c2ccccc12)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
10.076472
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5834765
LogD (pH = 7.4)
2.5825796
Log P
2.583489
Molar Refractivity
78.0287
Polarizability
28.246607
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