N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
Formula:C11H10N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C11H10N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(C1CC1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C11H10ClN3O3/c12-9-4-1-7(5-10(9)15(17)18)6-13-14-11(16)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,16) |
| InChIK | RKFFNBHTPIORQD-UHFFFAOYSA-N |
| TotalMolweight | 267.671 |
| Molweight | 267.671 |
| MonoisotopicMass | 267.041069 |
| CLogP | 1.7603 |
| CLogS | -4.263 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 192.84 |
| Relative PSA | 0.34448 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | 0.60555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off