Molecule

ID:17517

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c15-9-11-3-5-12(6-4-11)17-10-13(16)14-7-1-2-8-14/h3-6,9H,1-2,7-8,10H2
InChIKey
FPZGFXMEYUZEGG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCC(=O)N1CCCC1
Isomeric Smiles
N1(C(=O)COc2ccc(cc2)C=O)CCCC1
Calculated Properties
JChem
Acid pKa
16.586693
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0522672
LogD (pH = 7.4)
1.0522672
Log P
1.0522672
Molar Refractivity
64.3464
Polarizability
24.438248
Polar Surface Area
46.61
Rotatable Bonds
4
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