Molecule

ID:59145

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-4-18-14(16)12-8-10-7-11(17-3)5-6-13(10)15-9(12)2/h5-8H,4H2,1-3H3
InChIKey
DOOZEQYEQPQCGX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2cc(OC)ccc2nc1C
Isomeric Smiles
c1cc(cc2c1nc(c(c2)C(=O)OCC)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.457486
LogD (pH = 7.4)
2.4647903
Log P
2.4648843
Molar Refractivity
67.8079
Polarizability
27.487669
Polar Surface Area
48.42
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