N'-[1-(3-nitrophenyl)ethenyl]-4-(quinolin-8-ylsulfanylmethyl)benzohydrazide
Formula:C25H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[1-(3-nitrophenyl)ethenyl]-4-(quinolin-8-ylsulfanylmethyl)benzohydrazide is a drug-like molecule.
| MolName | N'-[1-(3-nitrophenyl)ethenyl]-4-(quinolin-8-ylsulfanylmethyl)benzohydrazide |
| MolecularFormula | C25H20N4O3S |
| Smiles | C=C(c1cc([N+]([O-])=O)ccc1)NNC(c1ccc(CSc2cccc3cccnc23)cc1)=O |
| InChI | InChI=1S/C25H20N4O3S/c1-17(21-6-2-8-22(15-21)29(31)32)27-28-25(30)20-12-10-18(11-13-20)16-33-23-9-3-5-19-7-4-14-26-24(19)23/h2-15,27H,1,16H2,(H,28,30) |
| InChIK | ZIWYZSJOLKPENG-UHFFFAOYSA-N |
| TotalMolweight | 456.525 |
| Molweight | 456.525 |
| MonoisotopicMass | 456.125611 |
| CLogP | 3.4861 |
| CLogS | -7.23 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 344.48 |
| Relative PSA | 0.27531 |
| PolarSurfaceArea | 125.14 |
| Druglikeness | -5.5933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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