(E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine
Formula:C22H14N2OBrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine is not a drug-like molecule.
| MolName | (E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine |
| MolecularFormula | C22H14N2OBrCl |
| Smiles | Clc1c(/C=C/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Br)n3)cccc1 |
| InChI | InChI=1S/C22H14BrClN2O/c23-18-9-3-2-8-17(18)22-26-20-14-16(11-12-21(20)27-22)25-13-5-7-15-6-1-4-10-19(15)24/h1-14H |
| InChIK | NTBHTEGDBNRERT-UHFFFAOYSA-N |
| TotalMolweight | 437.723 |
| Molweight | 437.723 |
| MonoisotopicMass | 435.997801 |
| CLogP | 6.0377 |
| CLogS | -8.01 |
| H Acceptors | 3 |
| TotalSurfaceArea | 301.14 |
| Relative PSA | 0.1215 |
| PolarSurfaceArea | 38.39 |
| Druglikeness | -1.69 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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