(NE)-N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-chlorobenzenesulfonamide
Formula:C16H9NO3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-chlorobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-chlorobenzenesulfonamide |
| MolecularFormula | C16H9NO3BrClS |
| Smiles | O=C(c1c2cccc1)C(Br)=C/C2=N\S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C16H9BrClNO3S/c17-14-9-15(12-3-1-2-4-13(12)16(14)20)19-23(21,22)11-7-5-10(18)6-8-11/h1-9H |
| InChIK | IESXDPKQJPXYRP-UHFFFAOYSA-N |
| TotalMolweight | 410.674 |
| Molweight | 410.674 |
| MonoisotopicMass | 408.917502 |
| CLogP | 3.7983 |
| CLogS | -5.503 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.58 |
| Relative PSA | 0.2146 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -6.7617 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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