[(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] 2-chlorobenzoate
Formula:C21H16N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] 2-chlorobenzoate |
| MolecularFormula | C21H16N2O3Cl2 |
| Smiles | N/C(/c1cc(COc(cc2)ccc2Cl)ccc1)=N/OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C21H16Cl2N2O3/c22-16-8-10-17(11-9-16)27-13-14-4-3-5-15(12-14)20(24)25-28-21(26)18-6-1-2-7-19(18)23/h1-12H,13H2,(H2,24,25) |
| InChIK | DKIBSEGHXGZAFC-UHFFFAOYSA-N |
| TotalMolweight | 415.275 |
| Molweight | 415.275 |
| MonoisotopicMass | 414.053797 |
| CLogP | 5.6322 |
| CLogS | -6.349 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.62 |
| Relative PSA | 0.19509 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -2.7958 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] 2-chlorobenzoate | 2 - [(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] 2-chlorobenzoate
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