Molecule

ID:31522

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c15-10-11-3-5-12(6-4-11)17-9-8-14-7-1-2-13(14)16/h3-6,10H,1-2,7-9H2
InChIKey
KJOKEEBMLQVNNN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)CCOc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0006186
LogD (pH = 7.4)
1.0006187
Log P
1.0006187
Molar Refractivity
64.2908
Polarizability
24.438614
Polar Surface Area
46.61
Rotatable Bonds
5
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