[(2-anilino-4-nitrobenzoyl)amino]thiourea
Formula:C14H13N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(2-anilino-4-nitrobenzoyl)amino]thiourea is a drug-like molecule.
| MolName | [(2-anilino-4-nitrobenzoyl)amino]thiourea |
| MolecularFormula | C14H13N5O3S |
| Smiles | NC(NNC(c(ccc([N+]([O-])=O)c1)c1Nc1ccccc1)=O)=S |
| InChI | InChI=1S/C14H13N5O3S/c15-14(23)18-17-13(20)11-7-6-10(19(21)22)8-12(11)16-9-4-2-1-3-5-9/h1-8,16H,(H,17,20)(H3,15,18,23) |
| InChIK | WAEHKYMKDHEBKC-UHFFFAOYSA-N |
| TotalMolweight | 331.355 |
| Molweight | 331.355 |
| MonoisotopicMass | 331.07391 |
| CLogP | 0.5568 |
| CLogS | -4.525 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 250.05 |
| Relative PSA | 0.48434 |
| PolarSurfaceArea | 157.09 |
| Druglikeness | -3.0604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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