N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H11N4O3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H11N4O3ClS |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\Nc3nc(cccc4)c4s3)o2)c1Cl)=O |
| InChI | InChI=1S/C18H11ClN4O3S/c19-14-7-5-11(23(24)25)9-13(14)16-8-6-12(26-16)10-20-22-18-21-15-3-1-2-4-17(15)27-18/h1-10H,(H,21,22) |
| InChIK | CNYOJBMDNWFCRS-UHFFFAOYSA-N |
| TotalMolweight | 398.829 |
| Molweight | 398.829 |
| MonoisotopicMass | 398.024038 |
| CLogP | 6.0962 |
| CLogS | -6.772 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 287.08 |
| Relative PSA | 0.34426 |
| PolarSurfaceArea | 124.48 |
| Druglikeness | -0.4003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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