[(E)-[(4-bromophenyl)-cyclopropylmethylidene]amino]thiourea
Formula:C11H12N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(4-bromophenyl)-cyclopropylmethylidene]amino]thiourea is a drug-like molecule.
| MolName | [(E)-[(4-bromophenyl)-cyclopropylmethylidene]amino]thiourea |
| MolecularFormula | C11H12N3BrS |
| Smiles | NC(N/N=C(\C1CC1)/c(cc1)ccc1Br)=S |
| InChI | InChI=1S/C11H12BrN3S/c12-9-5-3-8(4-6-9)10(7-1-2-7)14-15-11(13)16/h3-7H,1-2H2,(H3,13,15,16) |
| InChIK | BOHCDOMEDYHJPP-UHFFFAOYSA-N |
| TotalMolweight | 298.207 |
| Molweight | 298.207 |
| MonoisotopicMass | 296.993528 |
| CLogP | 2.5132 |
| CLogS | -4.608 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 194.07 |
| Relative PSA | 0.34132 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 0.57796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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