3-(2-hydroxyethyl)-2-[(E)-2-(5-nitrofuran-3-yl)ethenyl]quinazolin-4-one

Formula:C16H13N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-hydroxyethyl)-2-[(E)-2-(5-nitrofuran-3-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(2-hydroxyethyl)-2-[(E)-2-(5-nitrofuran-3-yl)ethenyl]quinazolin-4-one
MolecularFormula	C16H13N3O5
Smiles	[O-][N+](c1cc(/C=C/C(N2CCO)=Nc(cccc3)c3C2=O)co1)=O
InChI	InChI=1S/C16H13N3O5/c20-8-7-18-14(6-5-11-9-15(19(22)23)24-10-11)17-13-4-2-1-3-12(13)16(18)21/h1-6,9-10,20H,7-8H2
InChIK	KYXMGVKAQJHGOL-UHFFFAOYSA-N
TotalMolweight	327.295
Molweight	327.295
MonoisotopicMass	327.085522
CLogP	0.859
CLogS	-3.649
H Acceptors	8
H Donors	1
TotalSurfaceArea	244.27
Relative PSA	0.35096
PolarSurfaceArea	111.86
Druglikeness	-1.7853
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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