N'-[1-(3-nitrophenyl)ethenyl]-3H-benzimidazole-5-carbohydrazide
Formula:C16H13N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[1-(3-nitrophenyl)ethenyl]-3H-benzimidazole-5-carbohydrazide is a drug-like molecule.
| MolName | N'-[1-(3-nitrophenyl)ethenyl]-3H-benzimidazole-5-carbohydrazide |
| MolecularFormula | C16H13N5O3 |
| Smiles | C=C(c1cccc([N+]([O-])=O)c1)NNC(c(cc1)cc2c1nc[nH]2)=O |
| InChI | InChI=1S/C16H13N5O3/c1-10(11-3-2-4-13(7-11)21(23)24)19-20-16(22)12-5-6-14-15(8-12)18-9-17-14/h2-9,19H,1H2,(H,17,18)(H,20,22) |
| InChIK | HAMWPLSTEDGZFX-UHFFFAOYSA-N |
| TotalMolweight | 323.311 |
| Molweight | 323.311 |
| MonoisotopicMass | 323.10184 |
| CLogP | 0.6379 |
| CLogS | -4.306 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 243.04 |
| Relative PSA | 0.37582 |
| PolarSurfaceArea | 115.63 |
| Druglikeness | -5.3057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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