Molecule

ID:42851

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
DGHBETAWIXVCFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(C(=O)OC)cc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9309015
LogD (pH = 7.4)
2.9350793
Log P
2.9351327
Molar Refractivity
64.6539
Polarizability
24.362297
Polar Surface Area
29.54
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