6-[(2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]chromen-2-one
Formula:C20H19N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
6-[(2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]chromen-2-one is not a drug-like molecule.
| MolName | 6-[(2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]chromen-2-one |
| MolecularFormula | C20H19N3O2Cl2 |
| Smiles | O=C(C=C1)Oc(cc2)c1cc2N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C20H19Cl2N3O2/c21-9-11-25(12-10-22)18-5-1-15(2-6-18)14-23-24-17-4-7-19-16(13-17)3-8-20(26)27-19/h1-8,13-14,24H,9-12H2 |
| InChIK | NCQFGPMEHURZQK-UHFFFAOYSA-N |
| TotalMolweight | 404.296 |
| Molweight | 404.296 |
| MonoisotopicMass | 403.085431 |
| CLogP | 5.8463 |
| CLogS | -5.341 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.17 |
| Relative PSA | 0.16187 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 3.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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