(2Z)-2-[(2,5-dichloroanilino)methylidene]cycloheptan-1-one
Formula:C14H15NOCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[(2,5-dichloroanilino)methylidene]cycloheptan-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(2,5-dichloroanilino)methylidene]cycloheptan-1-one |
| MolecularFormula | C14H15NOCl2 |
| Smiles | O=C(CCCCC1)/C1=C\Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C14H15Cl2NO/c15-11-6-7-12(16)13(8-11)17-9-10-4-2-1-3-5-14(10)18/h6-9,17H,1-5H2 |
| InChIK | YLJQICDWHJPAPR-UHFFFAOYSA-N |
| TotalMolweight | 284.185 |
| Molweight | 284.185 |
| MonoisotopicMass | 283.053068 |
| CLogP | 3.8155 |
| CLogS | -4.884 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 213.32 |
| Relative PSA | 0.11485 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.1491 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
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