Molecule

ID:56144

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄
Molecular Mass
273.2839
Exact Mass
273.10010797
Charge
0
InChI
InChI=1S/C15H15NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKey
GRBJIELRAWTDID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2C(=O)N(C(=O)c2c1)C1CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.6846347
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.12546378
LogD (pH = 7.4)
-1.3724843
Log P
1.9391141
Molar Refractivity
71.4656
Polarizability
26.869951
Polar Surface Area
74.68
Rotatable Bonds
2
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