Molecule

ID:33597

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₄
Molecular Mass
282.67974
Exact Mass
282.04073452
Charge
0
InChI
InChI=1S/C12H11ClN2O4/c1-17-9-4-3-7(12(16)18-2)5-8(9)11-14-10(6-13)19-15-11/h3-5H,6H2,1-2H3
InChIKey
XMNNMKJEUAPMAY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)c1noc(n1)CCl)OC
Isomeric Smiles
c1(nc(on1)CCl)c1cc(C(=O)OC)ccc1OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.793545
LogD (pH = 7.4)
2.793545
Log P
2.793545
Molar Refractivity
79.7676
Polarizability
26.436153
Polar Surface Area
74.45
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
methyl 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoate|methyl 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoate|Methyl 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoa... | Molfinder