Molecule

ID:122594

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-17-14-10-12(11-16)4-5-13(14)18-9-8-15-6-2-3-7-15/h4-5,10-11H,2-3,6-9H2,1H3
InChIKey
XXYNHDRRTINCBF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCN1CCCC1
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCN1CCCC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.45818225
LogD (pH = 7.4)
1.266781
Log P
1.7948476
Molar Refractivity
71.1285
Polarizability
27.263725
Polar Surface Area
38.77
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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