2-(2-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine

Formula:C21H14N4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.

MolName2-(2-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
MolecularFormulaC21H14N4ClF
SmilesFc1c(/C=N\Nc2nc(-c(cccc3)c3Cl)nc3ccccc23)cccc1
InChIInChI=1S/C21H14ClFN4/c22-17-10-4-2-8-15(17)20-25-19-12-6-3-9-16(19)21(26-20)27-24-13-14-7-1-5-11-18(14)23/h1-13H,(H,25,26,27)
InChIKODMWNRZFKSSIHJ-UHFFFAOYSA-N
TotalMolweight376.821
Molweight376.821
MonoisotopicMass376.089101
CLogP7.2958
CLogS-7.366
H Acceptors4
H Donors1
TotalSurfaceArea282.89
Relative PSA0.15875
PolarSurfaceArea50.17
Druglikeness1.0445
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51852
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Aromatic Nitrogens2
StereoCon

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