Molecule

ID:83808

General Information
Structure
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-26-20-13-15-23(27-2)19(16-20)12-14-22(25)21-10-6-7-11-24(21)28-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKey
CKXXTJICVZJTJO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)/C=C/C(=O)c1ccccc1OCc1ccccc1)OC
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1cc(ccc1OC)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.717812
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.1417847
LogD (pH = 7.4)
5.1417847
Log P
5.1417847
Molar Refractivity
110.8792
Polarizability
42.488155
Polar Surface Area
44.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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