4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate
Molecular Formula : C14H9N4O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
MolName : 4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate |
MolecularFormula : C14H9N4O6 |
Smiles : [O-]c(cc1)c(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)cc1[N+]([O-])=O |
InChI : InChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/p-1 |
InChIK : XAWKXFKDEYZNHQ-UHFFFAOYSA-M |
TotalMolweight : 329.247 |
Molweight : 329.247 |
MonoisotopicMass : 329.052211 |
CLogP : -0.5653 |
CLogS : -4.345 |
H Acceptors : 10 |
H Donors : 1 |
TotalSurfaceArea : 241.86 |
Relative PSA : 0.45948 |
PolarSurfaceArea : 156.16 |
Druglikeness : -0.78017 |
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 : 3 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |