N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine
Formula:C23H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine |
| MolecularFormula | C23H14N4OCl2 |
| Smiles | Clc(cc1)ccc1C(Oc(cc1)c2cc1Cl)=C/C2=N\Nc1ncnc2ccccc12 |
| InChI | InChI=1S/C23H14Cl2N4O/c24-15-7-5-14(6-8-15)22-12-20(18-11-16(25)9-10-21(18)30-22)28-29-23-17-3-1-2-4-19(17)26-13-27-23/h1-13H,(H,26,27,29) |
| InChIK | YLSZSTJPYMPOGT-UHFFFAOYSA-N |
| TotalMolweight | 433.297 |
| Molweight | 433.297 |
| MonoisotopicMass | 432.054465 |
| CLogP | 7.9379 |
| CLogS | -7.447 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.38 |
| Relative PSA | 0.17634 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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