[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea
Formula:C14H13N3OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea |
| MolecularFormula | C14H13N3OS |
| Smiles | NC(N/N=C1\c(c2ccccc2cc2)c2OCC1)=S |
| InChI | InChI=1S/C14H13N3OS/c15-14(19)17-16-11-7-8-18-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2,(H3,15,17,19) |
| InChIK | CSOADSXAZRJUAV-UHFFFAOYSA-N |
| TotalMolweight | 271.343 |
| Molweight | 271.343 |
| MonoisotopicMass | 271.077932 |
| CLogP | 2.8101 |
| CLogS | -4.998 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.54 |
| Relative PSA | 0.36735 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 0.97592 |
| 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 | 10 |
| Sp3Atoms | 4 |
| StereoCon |
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