Molecule

ID:82927

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₆O
Molecular Mass
308.37254
Exact Mass
308.12011513
Charge
0
InChI
InChI=1S/C23H16O/c24-23(18-15-20-9-5-2-6-10-20)22-16-13-21(14-17-22)12-11-19-7-3-1-4-8-19/h1-10,13-18H
InChIKey
PVULYECFODNOCC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C#Cc1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)C#Cc1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
16.975302
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0113945
LogD (pH = 7.4)
6.0113945
Log P
6.0113945
Molar Refractivity
94.7136
Polarizability
37.60708
Polar Surface Area
17.07
Rotatable Bonds
5
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