Molecule

ID:11134

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₃
Molecular Mass
243.25792
Exact Mass
243.08954328
Charge
0
InChI
InChI=1S/C14H13NO3/c1-3-15-12(8-9-13(15)14(16)17)10-4-6-11(18-2)7-5-10/h3-9H,1H2,2H3,(H,16,17)
InChIKey
WXJPEJGLSPARIH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(n1C=C)C(=O)O
Isomeric Smiles
n1(c(ccc1c1ccc(cc1)OC)C(=O)O)C=C
Calculated Properties
JChem
Acid pKa
3.5814846
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8554055
LogD (pH = 7.4)
-0.5807917
Log P
2.7686195
Molar Refractivity
68.0163
Polarizability
27.339674
Polar Surface Area
51.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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