N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
Formula:C20H23N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide |
| MolecularFormula | C20H23N5O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CCN(CC2)CCN2c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C20H23N5O3/c26-20(22-21-16-17-5-4-8-19(15-17)25(27)28)9-10-23-11-13-24(14-12-23)18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H,22,26) |
| InChIK | AOEMWZPQLMPSKD-UHFFFAOYSA-N |
| TotalMolweight | 381.435 |
| Molweight | 381.435 |
| MonoisotopicMass | 381.18009 |
| CLogP | 1.2312 |
| CLogS | -3.818 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 300.32 |
| Relative PSA | 0.24484 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 5.1252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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