N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
Formula:C17H13N4OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide |
| MolecularFormula | C17H13N4OBr |
| Smiles | O=C(c(cc1)cc2c1nc[nH]2)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C17H13BrN4O/c18-14(8-12-4-2-1-3-5-12)10-21-22-17(23)13-6-7-15-16(9-13)20-11-19-15/h1-11H,(H,19,20)(H,22,23) |
| InChIK | FHWPVKBMVXZHIK-UHFFFAOYSA-N |
| TotalMolweight | 369.221 |
| Molweight | 369.221 |
| MonoisotopicMass | 368.027272 |
| CLogP | 3.4121 |
| CLogS | -5.057 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.26 |
| Relative PSA | 0.24074 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -0.1896 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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