3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one

Formula:C18H14N3O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C18H14N3O4I
Smiles	[O-][N+](c1cccc(/C=C/C(N2CCO)=Nc(ccc(I)c3)c3C2=O)c1)=O
InChI	InChI=1S/C18H14IN3O4/c19-13-5-6-16-15(11-13)18(24)21(8-9-23)17(20-16)7-4-12-2-1-3-14(10-12)22(25)26/h1-7,10-11,23H,8-9H2
InChIK	YREVJLMULKWTEB-UHFFFAOYSA-N
TotalMolweight	463.226
Molweight	463.226
MonoisotopicMass	463.002905
CLogP	1.81
CLogS	-4.482
H Acceptors	7
H Donors	1
TotalSurfaceArea	280.86
Relative PSA	0.255
PolarSurfaceArea	98.72
Druglikeness	-1.3496
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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