1-cyclohexyl-3-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]thiourea
Formula:C17H23N3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-cyclohexyl-3-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]thiourea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]thiourea |
| MolecularFormula | C17H23N3S |
| Smiles | S=C(NC1CCCCC1)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C17H23N3S/c21-17(18-14-9-2-1-3-10-14)20-19-16-12-6-8-13-7-4-5-11-15(13)16/h4-5,7,11,14H,1-3,6,8-10,12H2,(H2,18,20,21) |
| InChIK | PQOBHHROJBZRIL-UHFFFAOYSA-N |
| TotalMolweight | 301.457 |
| Molweight | 301.457 |
| MonoisotopicMass | 301.161267 |
| CLogP | 4.1119 |
| CLogS | -5.337 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 247.44 |
| Relative PSA | 0.2523 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -3.5847 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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