(1Z)-N-(4-bromoanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
Formula:C12H10N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(4-bromoanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-bromoanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H10N3OBr |
| Smiles | N#C/C(/C(C1CC1)=O)=N/Nc(cc1)ccc1Br |
| InChI | InChI=1S/C12H10BrN3O/c13-9-3-5-10(6-4-9)15-16-11(7-14)12(17)8-1-2-8/h3-6,8,15H,1-2H2 |
| InChIK | CYHGOYMEJWLZAA-UHFFFAOYSA-N |
| TotalMolweight | 292.135 |
| Molweight | 292.135 |
| MonoisotopicMass | 291.000723 |
| CLogP | 3.3169 |
| CLogS | -3.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.3 |
| Relative PSA | 0.25777 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.9914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (1Z)-N-(4-bromoanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide | 2 - (1Z)-N-(4-bromoanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
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