2-chloro-N-[3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
Formula:C17H15N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide |
| MolecularFormula | C17H15N4O4Cl |
| Smiles | [O-][N+](c1c(/C=N\NC(CCNC(c(cccc2)c2Cl)=O)=O)cccc1)=O |
| InChI | InChI=1S/C17H15ClN4O4/c18-14-7-3-2-6-13(14)17(24)19-10-9-16(23)21-20-11-12-5-1-4-8-15(12)22(25)26/h1-8,11H,9-10H2,(H,19,24)(H,21,23) |
| InChIK | PLDGXRBHESSCLM-UHFFFAOYSA-N |
| TotalMolweight | 374.783 |
| Molweight | 374.783 |
| MonoisotopicMass | 374.078183 |
| CLogP | 2.4241 |
| CLogS | -4.954 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 282.81 |
| Relative PSA | 0.32152 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 0.22578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-N-[3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide | 2 - 2-chloro-N-[3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
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