N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide
Formula:C25H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C25H21N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C(/c2ccccc2)=N\NC(C(C2)C2c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C25H21N3O3/c29-25(22-17-21(22)18-9-3-1-4-10-18)27-26-23(19-11-5-2-6-12-19)16-15-20-13-7-8-14-24(20)28(30)31/h1-16,21-22H,17H2,(H,27,29) |
| InChIK | GDFIZMWCVZDSQM-UHFFFAOYSA-N |
| TotalMolweight | 411.46 |
| Molweight | 411.46 |
| MonoisotopicMass | 411.158292 |
| CLogP | 4.6096 |
| CLogS | -6.66 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.39 |
| Relative PSA | 0.20734 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.5541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide | 2 - N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide
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