(2E)-2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine
Molecular Formula : C6H6N3O5Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine is a drug-like molecule.
MolName : (2E)-2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine |
MolecularFormula : C6H6N3O5Cl |
Smiles : [O-][N+](/C(/C=C(/[N+]([O-])=O)\Cl)=C1/OCCN1)=O |
InChI : InChI=1S/C6H6ClN3O5/c7-5(10(13)14)3-4(9(11)12)6-8-1-2-15-6/h3,8H,1-2H2 |
InChIK : TWIVAFFBIYQMQF-UHFFFAOYSA-N |
TotalMolweight : 235.583 |
Molweight : 235.583 |
MonoisotopicMass : 234.999599 |
CLogP : -0.2382 |
CLogS : -3.757 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 159.37 |
Relative PSA : 0.51641 |
PolarSurfaceArea : 112.9 |
Druglikeness : -4.131 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53333 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 3 |
Rings Closures : 1 |
Small Rings : 1 |
Sp3Atoms : 5 |
AcidicOxygens : 2 |
StereoCon : |