3-(2,6-dichlorophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Formula:C20H11N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(2,6-dichlorophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(2,6-dichlorophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H11N3O4Cl2
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(c(Cl)ccc3)c3Cl)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H11Cl2N3O4/c21-14-5-3-6-15(22)19(14)24-17(10-8-12-9-11-18(29-12)25(27)28)23-16-7-2-1-4-13(16)20(24)26/h1-11H
InChIK	OIXIDSAMYDEUKK-UHFFFAOYSA-N
TotalMolweight	428.23
Molweight	428.23
MonoisotopicMass	427.012661
CLogP	4.1406
CLogS	-7.197
H Acceptors	7
TotalSurfaceArea	301
Relative PSA	0.2413
PolarSurfaceArea	91.63
Druglikeness	-1.0081
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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