(NE)-N-[1-(benzimidazol-1-yl)-2-(2-phenylhydrazinyl)prop-2-enylidene]hydroxylamine
Formula:C16H15N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[1-(benzimidazol-1-yl)-2-(2-phenylhydrazinyl)prop-2-enylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(benzimidazol-1-yl)-2-(2-phenylhydrazinyl)prop-2-enylidene]hydroxylamine |
| MolecularFormula | C16H15N5O |
| Smiles | C=C(/C(/n1c(cccc2)c2nc1)=N\O)NNc1ccccc1 |
| InChI | InChI=1S/C16H15N5O/c1-12(18-19-13-7-3-2-4-8-13)16(20-22)21-11-17-14-9-5-6-10-15(14)21/h2-11,18-19,22H,1H2 |
| InChIK | RTTUFALGXJBGSE-UHFFFAOYSA-N |
| TotalMolweight | 293.329 |
| Molweight | 293.329 |
| MonoisotopicMass | 293.12766 |
| CLogP | 4.257 |
| CLogS | -3.534 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 230.57 |
| Relative PSA | 0.28351 |
| PolarSurfaceArea | 74.47 |
| Druglikeness | -0.925 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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