[(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate
Molecular Formula : C17H11N2O8Cl | Mutagenic : high | Tumorigenic : low | Reproductive Effective : high |[(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate is a drug-like molecule.
MolName : [(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate |
MolecularFormula : C17H11N2O8Cl |
Smiles : [O-][N+](c(cc1)ccc1C(OC/C(/OC(c(cc1)ccc1[N+]([O-])=O)=O)=C/Cl)=O)=O |
InChI : InChI=1S/C17H11ClN2O8/c18-9-15(28-17(22)12-3-7-14(8-4-12)20(25)26)10-27-16(21)11-1-5-13(6-2-11)19(23)24/h1-9H,10H2 |
InChIK : MWAHPPQBLQTKSF-UHFFFAOYSA-N |
TotalMolweight : 406.733 |
Molweight : 406.733 |
MonoisotopicMass : 406.020395 |
CLogP : 2.2896 |
CLogS : -5.105 |
H Acceptors : 10 |
TotalSurfaceArea : 289.75 |
Relative PSA : 0.36901 |
PolarSurfaceArea : 144.24 |
Druglikeness : -6.1223 |
Mutagenic : high |
Tumorigenic : low |
Reproductive Effective : high |
Irritant : low |
Nasty Functions : aromatic nitro |
Shape Index : 0.64286 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 9 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
AcidicOxygens : 2 |
StereoCon : |