N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-3-phenylpropanamide
Formula:C24H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]-3-phenylpropanamide |
| MolecularFormula | C24H21N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C(/c2ccccc2)=N\NC(CCc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C24H21N3O3/c28-24(18-15-19-9-3-1-4-10-19)26-25-22(20-11-5-2-6-12-20)17-16-21-13-7-8-14-23(21)27(29)30/h1-14,16-17H,15,18H2,(H,26,28) |
| InChIK | WGLGCAPHWAZHJE-UHFFFAOYSA-N |
| TotalMolweight | 399.449 |
| Molweight | 399.449 |
| MonoisotopicMass | 399.158292 |
| CLogP | 4.4434 |
| CLogS | -6.316 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.65 |
| Relative PSA | 0.20589 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.8455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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