(NZ)-4-chloro-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
Formula:C22H15N2O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-chloro-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-chloro-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide |
| MolecularFormula | C22H15N2O4ClS |
| Smiles | Oc(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C22H15ClN2O4S/c23-14-5-11-17(12-6-14)30(28,29)25-20-13-21(24-15-7-9-16(26)10-8-15)22(27)19-4-2-1-3-18(19)20/h1-13,24,26H |
| InChIK | VJJKXYKVMZVUPW-UHFFFAOYSA-N |
| TotalMolweight | 438.89 |
| Molweight | 438.89 |
| MonoisotopicMass | 438.044105 |
| CLogP | 4.0649 |
| CLogS | -5.804 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 306.52 |
| Relative PSA | 0.25346 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | 2.5373 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| 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 | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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