Molecule

ID:78672

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O
Molecular Mass
264.3615
Exact Mass
264.15141526
Charge
0
InChI
InChI=1S/C19H20O/c1-14(2)17-11-6-16(7-12-17)8-13-19(20)18-9-4-15(3)5-10-18/h4-14H,1-3H3
InChIKey
MYILNVXHHYPGRV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
17.154505
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.648756
LogD (pH = 7.4)
5.648756
Log P
5.648756
Molar Refractivity
86.109
Polarizability
32.62435
Polar Surface Area
17.07
Rotatable Bonds
4
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