[(Z)-(3-bromofluoren-9-ylidene)amino]thiourea
Formula:C14H10N3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-bromofluoren-9-ylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-bromofluoren-9-ylidene)amino]thiourea |
| MolecularFormula | C14H10N3BrS |
| Smiles | NC(N/N=C1\c(ccc(Br)c2)c2-c2c1cccc2)=S |
| InChI | InChI=1S/C14H10BrN3S/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(11)17-18-14(16)19/h1-7H,(H3,16,18,19) |
| InChIK | ZWRGSLGTWZRDMP-UHFFFAOYSA-N |
| TotalMolweight | 332.224 |
| Molweight | 332.224 |
| MonoisotopicMass | 330.977878 |
| CLogP | 3.8402 |
| CLogS | -6.508 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 213.81 |
| Relative PSA | 0.30981 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -0.44518 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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