N-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
Formula:C24H26N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide |
| MolecularFormula | C24H26N3O |
| Smiles | O=C(Nc1cccc2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C24H25N3O/c28-24(25-23-14-6-12-21-11-4-5-13-22(21)23)27-18-16-26(17-19-27)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2,(H,25,28)/p+1 |
| InChIK | ZAGMCMBNANOEPJ-UHFFFAOYSA-O |
| TotalMolweight | 372.49 |
| Molweight | 372.49 |
| MonoisotopicMass | 372.207587 |
| CLogP | 2.7012 |
| CLogS | -4.79 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 313.27 |
| Relative PSA | 0.14569 |
| PolarSurfaceArea | 36.78 |
| Druglikeness | 3.0089 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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