N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methylidenecyclobutane-1-carboxamide
Formula:C20H18N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methylidenecyclobutane-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methylidenecyclobutane-1-carboxamide |
| MolecularFormula | C20H18N2O2Cl2 |
| Smiles | C=C(C1)CC1C(N/N=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C20H18Cl2N2O2/c1-13-8-16(9-13)20(25)24-23-11-14-2-6-18(7-3-14)26-12-15-4-5-17(21)10-19(15)22/h2-7,10-11,16H,1,8-9,12H2,(H,24,25) |
| InChIK | DSHFBFHXOAFDKD-UHFFFAOYSA-N |
| TotalMolweight | 389.281 |
| Molweight | 389.281 |
| MonoisotopicMass | 388.074532 |
| CLogP | 5.2211 |
| CLogS | -6.213 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.86 |
| Relative PSA | 0.15819 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 0.94098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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