[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate
Formula:C19H16NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C19H16NO2Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(/CCC1)\C1=C\c1ccccc1 |
| InChI | InChI=1S/C19H16ClNO2/c20-17-11-9-15(10-12-17)19(22)23-21-18-8-4-7-16(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2 |
| InChIK | OBAZIFAXNYZODE-UHFFFAOYSA-N |
| TotalMolweight | 325.794 |
| Molweight | 325.794 |
| MonoisotopicMass | 325.086956 |
| CLogP | 5.68 |
| CLogS | -5.493 |
| H Acceptors | 3 |
| TotalSurfaceArea | 251.65 |
| Relative PSA | 0.13729 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.4357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate | 2 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate
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