N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine
Formula:C23H13N4OCl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine |
| MolecularFormula | C23H13N4OCl3 |
| Smiles | Clc(cc1)ccc1C(Oc(c1cc(Cl)c2)c2Cl)=C/C1=N\Nc1ncnc2ccccc12 |
| InChI | InChI=1S/C23H13Cl3N4O/c24-14-7-5-13(6-8-14)21-11-20(17-9-15(25)10-18(26)22(17)31-21)29-30-23-16-3-1-2-4-19(16)27-12-28-23/h1-12H,(H,27,28,30) |
| InChIK | YYVTZJJJBIOYAU-UHFFFAOYSA-N |
| TotalMolweight | 467.742 |
| Molweight | 467.742 |
| MonoisotopicMass | 466.015492 |
| CLogP | 8.5439 |
| CLogS | -8.183 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.8 |
| Relative PSA | 0.16802 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine | 2 - N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off