N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]naphthalen-2-amine
Formula:C24H21N3OS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]naphthalen-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]naphthalen-2-amine |
| MolecularFormula | C24H21N3OS |
| Smiles | C(CC1)CC(/C=N\Nc2cc3ccccc3cc2)=C1Sc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C24H21N3OS/c1-2-8-18-15-20(14-13-17(18)7-1)27-25-16-19-9-3-6-12-23(19)29-24-26-21-10-4-5-11-22(21)28-24/h1-2,4-5,7-8,10-11,13-16,27H,3,6,9,12H2 |
| InChIK | RTJCLAVGEMAIPV-UHFFFAOYSA-N |
| TotalMolweight | 399.517 |
| Molweight | 399.517 |
| MonoisotopicMass | 399.140532 |
| CLogP | 7.6207 |
| CLogS | -7.185 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 308.84 |
| Relative PSA | 0.21221 |
| PolarSurfaceArea | 75.72 |
| Druglikeness | -1.5264 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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