[(Z)-[(3E)-3-(4-chlorobenzoyl)oxyimino-2-phenylinden-1-ylidene]amino] 4-chlorobenzoate
Formula:C29H18N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(3E)-3-(4-chlorobenzoyl)oxyimino-2-phenylinden-1-ylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[(3E)-3-(4-chlorobenzoyl)oxyimino-2-phenylinden-1-ylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C29H18N2O4Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(\C1c2ccccc2)/c(cccc2)c2/C1=N\OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H18Cl2N2O4/c30-21-14-10-19(11-15-21)28(34)36-32-26-23-8-4-5-9-24(23)27(25(26)18-6-2-1-3-7-18)33-37-29(35)20-12-16-22(31)17-13-20/h1-17,25H |
| InChIK | JLVGTXHTKIQMLT-UHFFFAOYSA-N |
| TotalMolweight | 529.378 |
| Molweight | 529.378 |
| MonoisotopicMass | 528.064362 |
| CLogP | 8.9796 |
| CLogS | -9.167 |
| H Acceptors | 6 |
| TotalSurfaceArea | 383.82 |
| Relative PSA | 0.18003 |
| PolarSurfaceArea | 77.32 |
| Druglikeness | -2.1771 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(Z)-[(3E)-3-(4-chlorobenzoyl)oxyimino-2-phenylinden-1-ylidene]amino] 4-chlorobenzoate | 2 - [(Z)-[(3E)-3-(4-chlorobenzoyl)oxyimino-2-phenylinden-1-ylidene]amino] 4-chlorobenzoate
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