1-[(Z)-[3-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
Formula:C23H22N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[3-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea is not a drug-like molecule.
| MolName | 1-[(Z)-[3-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea |
| MolecularFormula | C23H22N3O3Cl |
| Smiles | O=C(Nc1ccccc1)N/N=C\c1cccc(OCCCOc(cccc2)c2Cl)c1 |
| InChI | InChI=1S/C23H22ClN3O3/c24-21-12-4-5-13-22(21)30-15-7-14-29-20-11-6-8-18(16-20)17-25-27-23(28)26-19-9-2-1-3-10-19/h1-6,8-13,16-17H,7,14-15H2,(H2,26,27,28) |
| InChIK | LAUIGYYBWCBTDN-UHFFFAOYSA-N |
| TotalMolweight | 423.899 |
| Molweight | 423.899 |
| MonoisotopicMass | 423.134969 |
| CLogP | 5.6109 |
| CLogS | -6.511 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.91 |
| Relative PSA | 0.20146 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 3.11 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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