N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Formula:C20H23N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
| MolecularFormula | C20H23N4OCl2 |
| Smiles | O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H22Cl2N4O/c21-18-7-6-16(14-19(18)22)15-23-24-20(27)8-9-25-10-12-26(13-11-25)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,24,27)/p+1 |
| InChIK | HTEBAORCYVNYAD-UHFFFAOYSA-O |
| TotalMolweight | 406.336 |
| Molweight | 406.336 |
| MonoisotopicMass | 405.12489 |
| CLogP | 2.1816 |
| CLogS | -4.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 321.53 |
| Relative PSA | 0.17774 |
| PolarSurfaceArea | 49.14 |
| Druglikeness | 5.8276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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