[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C17H14N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C17H14N3O3Cl |
| Smiles | NC(N/N=C\c(cc1)ccc1OC(/C=C/c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C17H14ClN3O3/c18-15-4-2-1-3-13(15)7-10-16(22)24-14-8-5-12(6-9-14)11-20-21-17(19)23/h1-11H,(H3,19,21,23) |
| InChIK | IATUPEDZMCNCTJ-UHFFFAOYSA-N |
| TotalMolweight | 343.769 |
| Molweight | 343.769 |
| MonoisotopicMass | 343.072369 |
| CLogP | 3.501 |
| CLogS | -5.39 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.18 |
| Relative PSA | 0.28026 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 1.8993 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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