1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
Formula:C20H23N3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea |
| MolecularFormula | C20H23N3S |
| Smiles | S=C(NC1C(C2)C3C=CCC3C2C1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H23N3S/c24-20(23-21-11-5-8-14-6-2-1-3-7-14)22-19-13-15-12-18(19)17-10-4-9-16(15)17/h1-8,10-11,15-19H,9,12-13H2,(H2,22,23,24) |
| InChIK | DFVAJBDCDZHHJV-UHFFFAOYSA-N |
| TotalMolweight | 337.49 |
| Molweight | 337.49 |
| MonoisotopicMass | 337.161267 |
| CLogP | 3.6729 |
| CLogS | -5.264 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 269.93 |
| Relative PSA | 0.23128 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 1.9128 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea | 2 - 1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
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