N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide
Molecular Formula : C14H9N3O3F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide |
MolecularFormula : C14H9N3O3F2 |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(ccc(F)c1)c1F)=O)=O |
InChI : InChI=1S/C14H9F2N3O3/c15-11-4-1-10(13(16)7-11)8-17-18-14(20)9-2-5-12(6-3-9)19(21)22/h1-8H,(H,18,20) |
InChIK : NAZPATIACJHFGI-UHFFFAOYSA-N |
TotalMolweight : 305.239 |
Molweight : 305.239 |
MonoisotopicMass : 305.061198 |
CLogP : 2.4816 |
CLogS : -4.809 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 223.36 |
Relative PSA : 0.29741 |
PolarSurfaceArea : 87.28 |
Druglikeness : -2.093 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
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 |
AcidicOxygens : 1 |
StereoCon : |