(Z)-N-[(Z)-anthracen-9-ylmethylideneamino]-1-(3,4-dichlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C29H25N5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-[(Z)-anthracen-9-ylmethylideneamino]-1-(3,4-dichlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-anthracen-9-ylmethylideneamino]-1-(3,4-dichlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C29H25N5Cl2 |
| Smiles | Clc(ccc(/C(/C(C1)(C2)CN3CN2CN1C3)=N\N=C/c1c(cccc2)c2cc2ccccc12)c1)c1Cl |
| InChI | InChI=1S/C29H25Cl2N5/c30-26-10-9-22(12-27(26)31)28(29-14-34-17-35(15-29)19-36(16-29)18-34)33-32-13-25-23-7-3-1-5-20(23)11-21-6-2-4-8-24(21)25/h1-13H,14-19H2 |
| InChIK | RBZVVLMSTYBLQT-UHFFFAOYSA-N |
| TotalMolweight | 514.458 |
| Molweight | 514.458 |
| MonoisotopicMass | 513.148699 |
| CLogP | 8.1421 |
| CLogS | -9.177 |
| H Acceptors | 5 |
| TotalSurfaceArea | 364.16 |
| Relative PSA | 0.092459 |
| PolarSurfaceArea | 34.44 |
| Druglikeness | 5.1138 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.38889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 8 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-anthracen-9-ylmethylideneamino]-1-(3,4-dichlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-anthracen-9-ylmethylideneamino]-1-(3,4-dichlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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