Molecule

ID:46033

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₃
Molecular Mass
221.2524
Exact Mass
221.10519335
Charge
0
InChI
InChI=1S/C12H15NO3/c1-2-15-12(14)9-4-3-5-10(6-9)16-11-7-13-8-11/h3-6,11,13H,2,7-8H2,1H3
InChIKey
SOLTXVDNKAPAAQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)OC1CNC1
Isomeric Smiles
C(=O)(c1cc(OC2CNC2)ccc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1354382
LogD (pH = 7.4)
0.5230405
Log P
1.6996982
Molar Refractivity
59.7207
Polarizability
23.591368
Polar Surface Area
47.56
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