N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinazolin-4-amine
Formula:C21H15N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H15N4Cl |
| Smiles | Clc(cc1)ccc1-c1nc2ccccc2c(N/N=C\c2ccccc2)n1 |
| InChI | InChI=1S/C21H15ClN4/c22-17-12-10-16(11-13-17)20-24-19-9-5-4-8-18(19)21(25-20)26-23-14-15-6-2-1-3-7-15/h1-14H,(H,24,25,26) |
| InChIK | VSLKLGQZEUFRTH-UHFFFAOYSA-N |
| TotalMolweight | 358.831 |
| Molweight | 358.831 |
| MonoisotopicMass | 358.098523 |
| CLogP | 7.195 |
| CLogS | -7.052 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.54 |
| Relative PSA | 0.1624 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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