[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
Molecular Formula : C16H12N3O6Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate is a drug-like molecule.
MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate |
MolecularFormula : C16H12N3O6Cl |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)ccc1Cl)=O)=O)=O)=O |
InChI : InChI=1S/C16H12ClN3O6/c17-12-5-1-11(2-6-12)16(23)26-9-14(21)18-19-15(22)10-3-7-13(8-4-10)20(24)25/h1-8H,9H2,(H,18,21)(H,19,22) |
InChIK : UFNBYHMPZQNNJZ-UHFFFAOYSA-N |
TotalMolweight : 377.739 |
Molweight : 377.739 |
MonoisotopicMass : 377.041464 |
CLogP : 0.8599 |
CLogS : -4.409 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 272.04 |
Relative PSA : 0.37664 |
PolarSurfaceArea : 130.32 |
Druglikeness : -2.1751 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.69231 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |