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

Formula:C22H13N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H13N4O5Cl
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(ccc([N+]([O-])=O)c3)c3Cl)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H13ClN4O5/c23-18-13-16(27(31)32)10-11-20(18)25-21(24-19-4-2-1-3-17(19)22(25)28)12-7-14-5-8-15(9-6-14)26(29)30/h1-13H
InChIK	PUUHUHGXVHJWRN-UHFFFAOYSA-N
TotalMolweight	448.821
Molweight	448.821
MonoisotopicMass	448.057448
CLogP	3.0729
CLogS	-6.714
H Acceptors	9
TotalSurfaceArea	319.56
Relative PSA	0.27832
PolarSurfaceArea	124.31
Druglikeness	-3.2948
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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