Molecule

ID:32986

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₃
Molecular Mass
286.75456
Exact Mass
286.10842016
Charge
0
InChI
InChI=1S/C13H19ClN2O3/c1-13(2,3)12(17)16-8-6-7-9(15-10(8)14)11(18-4)19-5/h6-7,11H,1-5H3,(H,16,17)
InChIKey
IBYNTMNMQOXZNC-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccc(c(n1)Cl)NC(=O)C(C)(C)C)OC
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C(OC)OC
Calculated Properties
JChem
Acid pKa
11.620984
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.928677
LogD (pH = 7.4)
2.9286528
Log P
2.9286776
Molar Refractivity
75.3271
Polarizability
28.734983
Polar Surface Area
60.45
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
References
Bioactivity
Navigation