(NZ)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalene-2-sulfonamide
Formula:C16H10NO3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalene-2-sulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalene-2-sulfonamide |
| MolecularFormula | C16H10NO3BrS |
| Smiles | O=C(C=C1)C(Br)=C/C1=N\S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C16H10BrNO3S/c17-15-10-13(6-8-16(15)19)18-22(20,21)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H |
| InChIK | HYLBFUABCAYBAC-UHFFFAOYSA-N |
| TotalMolweight | 376.229 |
| Molweight | 376.229 |
| MonoisotopicMass | 374.956475 |
| CLogP | 3.0317 |
| CLogS | -4.529 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.5 |
| Relative PSA | 0.22754 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -7.6669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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