2-[[3-nitro-4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid
Formula:C24H22N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-nitro-4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid is a drug-like molecule.
| MolName | 2-[[3-nitro-4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid |
| MolecularFormula | C24H22N4O6S |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cccc2)c2C(O)=O)(=O)=O)c1N/N=C(\CCCC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C24H22N4O6S/c29-24(30)19-10-4-6-12-21(19)27-35(33,34)17-13-14-22(23(15-17)28(31)32)26-25-20-11-5-2-8-16-7-1-3-9-18(16)20/h1,3-4,6-7,9-10,12-15,26-27H,2,5,8,11H2,(H,29,30) |
| InChIK | NETYSOBLXXUSEK-UHFFFAOYSA-N |
| TotalMolweight | 494.527 |
| Molweight | 494.527 |
| MonoisotopicMass | 494.126006 |
| CLogP | 4.7182 |
| CLogS | -6.174 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 356.56 |
| Relative PSA | 0.33534 |
| PolarSurfaceArea | 162.06 |
| Druglikeness | -9.5005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[3-nitro-4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid | 2 - 2-[[3-nitro-4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid
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