(E)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Formula:C17H11N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C17H11N4O3Cl |
| Smiles | N#C/C(/C(N/N=C\c(cc1)ccc1Cl)=O)=C\c1cc([N+]([O-])=O)ccc1 |
| InChI | InChI=1S/C17H11ClN4O3/c18-15-6-4-12(5-7-15)11-20-21-17(23)14(10-19)8-13-2-1-3-16(9-13)22(24)25/h1-9,11H,(H,21,23) |
| InChIK | HECSEGXWTVYQKA-UHFFFAOYSA-N |
| TotalMolweight | 354.752 |
| Molweight | 354.752 |
| MonoisotopicMass | 354.051968 |
| CLogP | 3.0672 |
| CLogS | -5.559 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 272.5 |
| Relative PSA | 0.29354 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -4.0917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
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