1-amino-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea
Formula:C8H9N5O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-amino-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-amino-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea |
| MolecularFormula | C8H9N5O2S |
| Smiles | NNC(N/N=C\c(cccc1)c1[N+]([O-])=O)=S |
| InChI | InChI=1S/C8H9N5O2S/c9-11-8(16)12-10-5-6-3-1-2-4-7(6)13(14)15/h1-5H,9H2,(H2,11,12,16) |
| InChIK | HHDIUBGMAIBCND-UHFFFAOYSA-N |
| TotalMolweight | 239.258 |
| Molweight | 239.258 |
| MonoisotopicMass | 239.047695 |
| CLogP | -0.1537 |
| CLogS | -3.635 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 185.84 |
| Relative PSA | 0.58179 |
| PolarSurfaceArea | 140.35 |
| Druglikeness | -6.3552 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; hydrazine; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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