(Z)-3-chloro-N-cyclohexyl-4-phenyl-2-(N-prop-2-enylanilino)but-3-enamide
Formula:C25H29N2OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-3-chloro-N-cyclohexyl-4-phenyl-2-(N-prop-2-enylanilino)but-3-enamide is not a drug-like molecule.
| MolName | (Z)-3-chloro-N-cyclohexyl-4-phenyl-2-(N-prop-2-enylanilino)but-3-enamide |
| MolecularFormula | C25H29N2OCl |
| Smiles | C=CCN(C(/C(/Cl)=C/c1ccccc1)C(NC1CCCCC1)=O)c1ccccc1 |
| InChI | InChI=1S/C25H29ClN2O/c1-2-18-28(22-16-10-5-11-17-22)24(23(26)19-20-12-6-3-7-13-20)25(29)27-21-14-8-4-9-15-21/h2-3,5-7,10-13,16-17,19,21,24H,1,4,8-9,14-15,18H2,(H,27,29)/t24-/m0/s1 |
| InChIK | ANTQNDYEADLRFC-DEOSSOPVSA-N |
| TotalMolweight | 408.971 |
| Molweight | 408.971 |
| MonoisotopicMass | 408.19684 |
| CLogP | 5.4645 |
| CLogS | -6.111 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 331.26 |
| Relative PSA | 0.084677 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | -1.8974 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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