N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-1-carboxamide
Formula:C22H21N3OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C22H21N3OCl2 |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C22H21Cl2N3O/c23-12-14-27(15-13-24)19-10-8-17(9-11-19)16-25-26-22(28)21-7-3-5-18-4-1-2-6-20(18)21/h1-11,16H,12-15H2,(H,26,28) |
| InChIK | UKSWDODCAUUUNV-UHFFFAOYSA-N |
| TotalMolweight | 414.335 |
| Molweight | 414.335 |
| MonoisotopicMass | 413.106166 |
| CLogP | 5.5636 |
| CLogS | -6.765 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.77 |
| Relative PSA | 0.12449 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 7.3664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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