Molecule

ID:10910

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄
Molecular Mass
273.2839
Exact Mass
273.10010797
Charge
0
InChI
InChI=1S/C15H15NO4/c17-11-4-2-1-3-10(11)16-14(18)12-8-5-6-9(7-8)13(12)15(19)20/h1-6,8-9,12-13,17H,7H2,(H,16,18)(H,19,20)
InChIKey
ZSIOTNRWXQEMDQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1C2C=CC(C1C(=O)O)C2)Nc1ccccc1O
Isomeric Smiles
C(=O)(C1C2C=CC(C1C(=O)O)C2)Nc1c(O)cccc1
Calculated Properties
JChem
Acid pKa
4.0147023
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.05187139
LogD (pH = 7.4)
-1.6205317
Log P
1.5474596
Molar Refractivity
74.1546
Polarizability
27.556286
Polar Surface Area
86.63
Rotatable Bonds
3
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