N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C15H12N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C15H12N5O3F3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C15H12F3N5O3/c16-15(17,18)13-7-9-22(21-13)10-14(24)20-19-8-3-5-11-4-1-2-6-12(11)23(25)26/h1-9H,10H2,(H,20,24) |
| InChIK | VFGGACLCMQKSNY-UHFFFAOYSA-N |
| TotalMolweight | 367.286 |
| Molweight | 367.286 |
| MonoisotopicMass | 367.089224 |
| CLogP | 0.7575 |
| CLogS | -3.509 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 268.34 |
| Relative PSA | 0.31404 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -10.531 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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