(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazine
Formula:C17H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazine is a drug-like molecule.
| MolName | (Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazine |
| MolecularFormula | C17H20N4O3 |
| Smiles | N/N=C\C(CC/C1=C\c2cccc([N+]([O-])=O)c2)=C1N1CCOCC1 |
| InChI | InChI=1S/C17H20N4O3/c18-19-12-15-5-4-14(17(15)20-6-8-24-9-7-20)10-13-2-1-3-16(11-13)21(22)23/h1-3,10-12H,4-9,18H2 |
| InChIK | UEUQZSGAFRZDFQ-UHFFFAOYSA-N |
| TotalMolweight | 328.371 |
| Molweight | 328.371 |
| MonoisotopicMass | 328.153541 |
| CLogP | 1.2247 |
| CLogS | -3.419 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 253.7 |
| Relative PSA | 0.27887 |
| PolarSurfaceArea | 96.67 |
| Druglikeness | -5.1905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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