Molecule

ID:119368

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NaO₂
Molecular Mass
210.20431
Exact Mass
210.06567387
Charge
0
InChI
InChI=1S/C12H12O2.Na/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11;/h2-9H,1H3,(H,13,14);/q;+1/p-1/b8-7-,10-9-;
InChIKey
HIOXNXCJDYVHQP-CGGPWJJTSA-M
Canonic Smiles
[O-]C(=O)/C=C(\C=C/c1ccccc1)/C.[Na+]
Isomeric Smiles
C(=O)(/C=C(\C=C/c1ccccc1)/C)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
4.885789
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1984727
LogD (pH = 7.4)
0.4311525
Log P
2.9066632
Molar Refractivity
68.4976
Polarizability
21.37541
Polar Surface Area
40.13
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