(NZ)-N-[3-(3,4-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
Formula:C22H14N2O3Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3-(3,4-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is not a drug-like molecule.
| MolName | (NZ)-N-[3-(3,4-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide |
| MolecularFormula | C22H14N2O3Cl2S |
| Smiles | O=C(c1c2cccc1)C(Nc(cc1)cc(Cl)c1Cl)=C/C2=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H14Cl2N2O3S/c23-18-11-10-14(12-19(18)24)25-21-13-20(16-8-4-5-9-17(16)22(21)27)26-30(28,29)15-6-2-1-3-7-15/h1-13,25H |
| InChIK | ONAAWJHACKRWPJ-UHFFFAOYSA-N |
| TotalMolweight | 457.336 |
| Molweight | 457.336 |
| MonoisotopicMass | 456.010217 |
| CLogP | 5.0166 |
| CLogS | -6.836 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.59 |
| Relative PSA | 0.20466 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -6.8649 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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