Molecule

ID:43927

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄O₄
Molecular Mass
376.44496
Exact Mass
376.16745925
Charge
0
InChI
InChI=1S/C24H24O4/c1-19(25)21-9-5-10-24(17-21)27-16-6-15-26-22-11-13-23(14-12-22)28-18-20-7-3-2-4-8-20/h2-5,7-14,17H,6,15-16,18H2,1H3
InChIKey
DZBMFXXUQRGTRP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)OCCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1(C(=O)C)cc(OCCCOc2ccc(OCc3ccccc3)cc2)ccc1
Calculated Properties
JChem
Acid pKa
15.953495
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.6440334
LogD (pH = 7.4)
4.6440334
Log P
4.6440334
Molar Refractivity
109.4174
Polarizability
42.650555
Polar Surface Area
44.76
Rotatable Bonds
10
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