N-[(E)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine
Formula:C23H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(E)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]quinazolin-4-amine |
| MolecularFormula | C23H15N4OCl |
| Smiles | Clc(cc1)ccc1C(Oc1c2cccc1)=C/C2=N\Nc1ncnc2ccccc12 |
| InChI | InChI=1S/C23H15ClN4O/c24-16-11-9-15(10-12-16)22-13-20(17-5-2-4-8-21(17)29-22)27-28-23-18-6-1-3-7-19(18)25-14-26-23/h1-14H,(H,25,26,28) |
| InChIK | HTJWAUWPHXAJOZ-UHFFFAOYSA-N |
| TotalMolweight | 398.852 |
| Molweight | 398.852 |
| MonoisotopicMass | 398.093438 |
| CLogP | 7.3319 |
| CLogS | -6.711 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.96 |
| Relative PSA | 0.18553 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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