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

Formula:C21H14N5O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-fluorophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.

MolName	2-(2-fluorophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
MolecularFormula	C21H14N5O2F
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(-c(cccc3)c3F)nc3ccccc23)cc1)=O
InChI	InChI=1S/C21H14FN5O2/c22-18-7-3-1-5-16(18)20-24-19-8-4-2-6-17(19)21(25-20)26-23-13-14-9-11-15(12-10-14)27(28)29/h1-13H,(H,24,25,26)
InChIK	ZZKCHERYTCLZGA-UHFFFAOYSA-N
TotalMolweight	387.373
Molweight	387.373
MonoisotopicMass	387.113153
CLogP	5.7682
CLogS	-7.09
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.14
Relative PSA	0.25874
PolarSurfaceArea	95.99
Druglikeness	-4.4721
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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