Molecule
ID:83568
General Information
Molecular Formula
C₂₅H₂₄O₂
Molecular Mass
356.45686
Exact Mass
356.17763001
Charge
0
InChI
InChI=1S/C25H24O2/c1-18-15-19(2)22(20(3)16-18)13-14-24(26)23-11-7-8-12-25(23)27-17-21-9-5-4-6-10-21/h4-16H,17H2,1-3H3
InChIKey
SIKMBWWJHUQIHT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1c(cc(cc1C)C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.702072
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.997391
LogD (pH = 7.4)
6.997391
Log P
6.997391
Molar Refractivity
113.0764
Polarizability
42.80688
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...