N'-[1-(4-hydroxyphenyl)ethenyl]-3,5-dinitrobenzohydrazide
Formula:C15H12N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[1-(4-hydroxyphenyl)ethenyl]-3,5-dinitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[1-(4-hydroxyphenyl)ethenyl]-3,5-dinitrobenzohydrazide |
| MolecularFormula | C15H12N4O6 |
| Smiles | C=C(c(cc1)ccc1O)NNC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C15H12N4O6/c1-9(10-2-4-14(20)5-3-10)16-17-15(21)11-6-12(18(22)23)8-13(7-11)19(24)25/h2-8,16,20H,1H2,(H,17,21) |
| InChIK | ANIMAIQNCMXEFN-UHFFFAOYSA-N |
| TotalMolweight | 344.282 |
| Molweight | 344.282 |
| MonoisotopicMass | 344.075686 |
| CLogP | -0.0586 |
| CLogS | -4.259 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 250.13 |
| Relative PSA | 0.43937 |
| PolarSurfaceArea | 153 |
| Druglikeness | -6.0653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N'-[1-(4-hydroxyphenyl)ethenyl]-3,5-dinitrobenzohydrazide | 2 - N'-[1-(4-hydroxyphenyl)ethenyl]-3,5-dinitrobenzohydrazide
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