1-[(Z)-cyclohex-3-en-1-ylidenemethyl]-2-(3-nitrophenyl)hydrazine
Formula:C13H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-cyclohex-3-en-1-ylidenemethyl]-2-(3-nitrophenyl)hydrazine is a drug-like molecule.
| MolName | 1-[(Z)-cyclohex-3-en-1-ylidenemethyl]-2-(3-nitrophenyl)hydrazine |
| MolecularFormula | C13H15N3O2 |
| Smiles | [O-][N+](c1cc(NN/C=C2\CC=CCC2)ccc1)=O |
| InChI | InChI=1S/C13H15N3O2/c17-16(18)13-8-4-7-12(9-13)15-14-10-11-5-2-1-3-6-11/h1-2,4,7-10,14-15H,3,5-6H2 |
| InChIK | HSIHREMUTLMYCN-UHFFFAOYSA-N |
| TotalMolweight | 245.281 |
| Molweight | 245.281 |
| MonoisotopicMass | 245.116427 |
| CLogP | 2.2227 |
| CLogS | -3.332 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.84 |
| Relative PSA | 0.26826 |
| PolarSurfaceArea | 69.88 |
| Druglikeness | -9.6955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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