2-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C15H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C15H13N3O2 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C15H13N3O2/c19-18(20)15-11-5-4-10-14(15)17-16-12-6-9-13-7-2-1-3-8-13/h1-12,17H |
| InChIK | UOBWOFALILUNPU-UHFFFAOYSA-N |
| TotalMolweight | 267.287 |
| Molweight | 267.287 |
| MonoisotopicMass | 267.100777 |
| CLogP | 3.9376 |
| CLogS | -3.901 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.41 |
| Relative PSA | 0.24333 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - 2-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline | 2 - 2-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
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