(E)-3-(4-chlorophenyl)prop-2-enehydrazide
Formula:C9H9N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-3-(4-chlorophenyl)prop-2-enehydrazide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)prop-2-enehydrazide |
| MolecularFormula | C9H9N2OCl |
| Smiles | NNC(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C9H9ClN2O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,11H2,(H,12,13) |
| InChIK | DOEGIQCUZASDTB-UHFFFAOYSA-N |
| TotalMolweight | 196.636 |
| Molweight | 196.636 |
| MonoisotopicMass | 196.04034 |
| CLogP | 0.918 |
| CLogS | -3.088 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 152.91 |
| Relative PSA | 0.26009 |
| PolarSurfaceArea | 55.12 |
| Druglikeness | -6.635 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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