1-benzyl-3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]thiourea
Formula:C23H18N3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-benzyl-3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]thiourea |
| MolecularFormula | C23H18N3ClS |
| Smiles | S=C(NCc1ccccc1)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C23H18ClN3S/c24-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)15-26-27-23(28)25-14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H2,25,27,28) |
| InChIK | PMIDBVXRSUDVEJ-UHFFFAOYSA-N |
| TotalMolweight | 403.936 |
| Molweight | 403.936 |
| MonoisotopicMass | 403.090994 |
| CLogP | 6.2964 |
| CLogS | -8.085 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 311.79 |
| Relative PSA | 0.20023 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 2.6862 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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