N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Formula:C22H21N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C22H21N3OCl2 |
| Smiles | O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H21Cl2N3O/c23-18-8-5-9-19(24)17(18)14-25-26-22(28)12-13-27-20-10-3-1-6-15(20)16-7-2-4-11-21(16)27/h1,3,5-6,8-10,14H,2,4,7,11-13H2,(H,26,28) |
| InChIK | AXYRWNUJXQRIOT-UHFFFAOYSA-N |
| TotalMolweight | 414.335 |
| Molweight | 414.335 |
| MonoisotopicMass | 413.106166 |
| CLogP | 5.7456 |
| CLogS | -6.234 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.69 |
| Relative PSA | 0.13802 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 1.4017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
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