4-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide
Molecular Formula : C14H11N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide |
MolecularFormula : C14H11N4O3Cl |
Smiles : Nc(cc1)ccc1C(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O |
InChI : InChI=1S/C14H11ClN4O3/c15-12-6-1-9(7-13(12)19(21)22)8-17-18-14(20)10-2-4-11(16)5-3-10/h1-8H,16H2,(H,18,20) |
InChIK : BCCJVAJULHPTIH-UHFFFAOYSA-N |
TotalMolweight : 318.719 |
Molweight : 318.719 |
MonoisotopicMass : 318.051968 |
CLogP : 2.2087 |
CLogS : -4.993 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 234.6 |
Relative PSA : 0.34825 |
PolarSurfaceArea : 113.3 |
Druglikeness : -0.7815 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amines : 1 |
Aromatic Amines : 1 |
AcidicOxygens : 1 |
StereoCon : |