[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3,3-diphenylpropanoate
Formula:C23H21N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3,3-diphenylpropanoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3,3-diphenylpropanoate |
| MolecularFormula | C23H21N3O4 |
| Smiles | N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(CC(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C23H21N3O4/c24-22(15-17-11-13-20(14-12-17)26(28)29)25-30-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H2,24,25) |
| InChIK | ATHKOEDAMCFGMP-UHFFFAOYSA-N |
| TotalMolweight | 403.437 |
| Molweight | 403.437 |
| MonoisotopicMass | 403.153207 |
| CLogP | 4.1287 |
| CLogS | -5.345 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 315.71 |
| Relative PSA | 0.25416 |
| PolarSurfaceArea | 110.5 |
| Druglikeness | -8.3463 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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