(NZ)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide
Formula:C26H18N2O5S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide is not a drug-like molecule.
| MolName | (NZ)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide |
| MolecularFormula | C26H18N2O5S2 |
| Smiles | O=C(c1c2cccc1)C(NS(c1ccccc1)(=O)=O)=C/C2=N/S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C26H18N2O5S2/c29-26-23-13-7-6-12-22(23)24(17-25(26)28-34(30,31)20-10-2-1-3-11-20)27-35(32,33)21-15-14-18-8-4-5-9-19(18)16-21/h1-17,28H |
| InChIK | JVHCGVBVCBKUIO-UHFFFAOYSA-N |
| TotalMolweight | 502.57 |
| Molweight | 502.57 |
| MonoisotopicMass | 502.065713 |
| CLogP | 4.4774 |
| CLogS | -6.463 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 347.93 |
| Relative PSA | 0.26778 |
| PolarSurfaceArea | 126.5 |
| Druglikeness | -7.0333 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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