6-iodo-3-(4-nitrophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one

Formula:C21H13N4O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-iodo-3-(4-nitrophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.

MolName	6-iodo-3-(4-nitrophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
MolecularFormula	C21H13N4O3I
Smiles	[O-][N+](c(cc1)ccc1N(C(/C=C/c1cnccc1)=Nc(cc1)c2cc1I)C2=O)=O
InChI	InChI=1S/C21H13IN4O3/c22-15-4-9-19-18(12-15)21(27)25(16-5-7-17(8-6-16)26(28)29)20(24-19)10-3-14-2-1-11-23-13-14/h1-13H
InChIK	DXUKOYAVJNKJTI-UHFFFAOYSA-N
TotalMolweight	496.259
Molweight	496.259
MonoisotopicMass	496.003239
CLogP	2.8247
CLogS	-5.739
H Acceptors	7
TotalSurfaceArea	305.51
Relative PSA	0.22746
PolarSurfaceArea	91.38
Druglikeness	-2.8051
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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