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

Formula:C21H13N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chloro-2-nitrophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(4-chloro-2-nitrophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
MolecularFormula	C21H13N4O3Cl
Smiles	[O-][N+](c(cc(cc1)Cl)c1N(C(/C=C/c1ncccc1)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C21H13ClN4O3/c22-14-8-10-18(19(13-14)26(28)29)25-20(11-9-15-5-3-4-12-23-15)24-17-7-2-1-6-16(17)21(25)27/h1-13H
InChIK	OOOWBPBSHSSKCY-UHFFFAOYSA-N
TotalMolweight	404.812
Molweight	404.812
MonoisotopicMass	404.067618
CLogP	3.0476
CLogS	-5.483
H Acceptors	7
TotalSurfaceArea	294.65
Relative PSA	0.23584
PolarSurfaceArea	91.38
Druglikeness	-3.2948
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
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
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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