N-[(4Z)-4-[(3,5-dinitrophenyl)hydrazinylidene]thiolan-3-yl]benzamide
Formula:C17H15N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4Z)-4-[(3,5-dinitrophenyl)hydrazinylidene]thiolan-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(4Z)-4-[(3,5-dinitrophenyl)hydrazinylidene]thiolan-3-yl]benzamide |
| MolecularFormula | C17H15N5O5S |
| Smiles | [O-][N+](c1cc(N/N=C(\CSC2)/C2NC(c2ccccc2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C17H15N5O5S/c23-17(11-4-2-1-3-5-11)18-15-9-28-10-16(15)20-19-12-6-13(21(24)25)8-14(7-12)22(26)27/h1-8,15,19H,9-10H2,(H,18,23)/t15-/m1/s1 |
| InChIK | RLMVOTJQFIMDFA-OAHLLOKOSA-N |
| TotalMolweight | 401.402 |
| Molweight | 401.402 |
| MonoisotopicMass | 401.07939 |
| CLogP | 2.2514 |
| CLogS | -4.503 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 288.01 |
| Relative PSA | 0.43679 |
| PolarSurfaceArea | 170.43 |
| Druglikeness | -1.5745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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