N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
Formula:C13H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide |
| MolecularFormula | C13H13N2OCl |
| Smiles | C=C(C1)CC1C(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C13H13ClN2O/c1-9-6-11(7-9)13(17)16-15-8-10-2-4-12(14)5-3-10/h2-5,8,11H,1,6-7H2,(H,16,17) |
| InChIK | CVDRXCMBMOTNJB-UHFFFAOYSA-N |
| TotalMolweight | 248.712 |
| Molweight | 248.712 |
| MonoisotopicMass | 248.07164 |
| CLogP | 3.267 |
| CLogS | -4.136 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.92 |
| Relative PSA | 0.18763 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.2538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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