(E)-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine
Formula:C26H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine |
| MolecularFormula | C26H17N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/C=N/c(cc2)cc3c2oc(-c2cc4ccccc4cc2)n3)ccc1)=O |
| InChI | InChI=1S/C26H17N3O3/c30-29(31)23-9-3-5-18(15-23)6-4-14-27-22-12-13-25-24(17-22)28-26(32-25)21-11-10-19-7-1-2-8-20(19)16-21/h1-17H |
| InChIK | JIOJFZGXTSGBGV-UHFFFAOYSA-N |
| TotalMolweight | 419.439 |
| Molweight | 419.439 |
| MonoisotopicMass | 419.126992 |
| CLogP | 4.9793 |
| CLogS | -8.506 |
| H Acceptors | 6 |
| TotalSurfaceArea | 325.36 |
| Relative PSA | 0.20596 |
| PolarSurfaceArea | 84.21 |
| Druglikeness | -5.1055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine | 2 - (E)-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine
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