1-[(Z)-(4-chlorophenyl)methylideneamino]-3-naphthalen-1-ylurea
Formula:C18H14N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-naphthalen-1-ylurea is a drug-like molecule.
| MolName | 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-naphthalen-1-ylurea |
| MolecularFormula | C18H14N3OCl |
| Smiles | O=C(Nc1cccc2ccccc12)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H14ClN3O/c19-15-10-8-13(9-11-15)12-20-22-18(23)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,21,22,23) |
| InChIK | ITJYHKKSTAXFNS-UHFFFAOYSA-N |
| TotalMolweight | 323.782 |
| Molweight | 323.782 |
| MonoisotopicMass | 323.082539 |
| CLogP | 4.9959 |
| CLogS | -6.579 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 248.47 |
| Relative PSA | 0.19105 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.8021 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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