N-[(E)-(2-phenylchromen-4-ylidene)amino]quinazolin-4-amine
Formula:C23H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-phenylchromen-4-ylidene)amino]quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(E)-(2-phenylchromen-4-ylidene)amino]quinazolin-4-amine |
| MolecularFormula | C23H16N4O |
| Smiles | c(cc1)ccc1C(Oc1c2cccc1)=C/C2=N\Nc1ncnc2ccccc12 |
| InChI | InChI=1S/C23H16N4O/c1-2-8-16(9-3-1)22-14-20(17-10-5-7-13-21(17)28-22)26-27-23-18-11-4-6-12-19(18)24-15-25-23/h1-15H,(H,24,25,27) |
| InChIK | UNNGCEHDZRXAPZ-UHFFFAOYSA-N |
| TotalMolweight | 364.407 |
| Molweight | 364.407 |
| MonoisotopicMass | 364.132411 |
| CLogP | 6.7259 |
| CLogS | -5.975 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.54 |
| Relative PSA | 0.19573 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 1.3953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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