N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
Formula:C16H10N4O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C16H10N4O2Cl2S |
| Smiles | [O-][N+](c1cccc(-c2csc(N/N=C/c(c(Cl)ccc3)c3Cl)n2)c1)=O |
| InChI | InChI=1S/C16H10Cl2N4O2S/c17-13-5-2-6-14(18)12(13)8-19-21-16-20-15(9-25-16)10-3-1-4-11(7-10)22(23)24/h1-9H,(H,20,21) |
| InChIK | YXDXQODZDKBBTD-UHFFFAOYSA-N |
| TotalMolweight | 393.253 |
| Molweight | 393.253 |
| MonoisotopicMass | 391.99015 |
| CLogP | 6.3364 |
| CLogS | -6.592 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.21 |
| Relative PSA | 0.30452 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -1.2517 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine | 2 - N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
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