N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
Molecular Formula : C14H9N4O5Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide |
MolecularFormula : C14H9N4O5Cl |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=O |
InChI : InChI=1S/C14H9ClN4O5/c15-13-6-5-12(19(23)24)7-10(13)8-16-17-14(20)9-1-3-11(4-2-9)18(21)22/h1-8H,(H,17,20) |
InChIK : AVDQHIQKQLWNMR-UHFFFAOYSA-N |
TotalMolweight : 348.701 |
Molweight : 348.701 |
MonoisotopicMass : 348.026148 |
CLogP : 1.9644 |
CLogS : -5.377 |
H Acceptors : 9 |
H Donors : 1 |
TotalSurfaceArea : 249.75 |
Relative PSA : 0.38779 |
PolarSurfaceArea : 133.1 |
Druglikeness : -0.73119 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |