6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

Formula:C22H12N3O3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H12N3O3Cl3
Smiles	[O-][N+](c1ccc(/C=C\C(N2c(c(Cl)ccc3)c3Cl)=Nc(ccc(Cl)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H12Cl3N3O3/c23-14-7-10-19-16(12-14)22(29)27(21-17(24)2-1-3-18(21)25)20(26-19)11-6-13-4-8-15(9-5-13)28(30)31/h1-12H
InChIK	DASOUXDTGUOCLD-UHFFFAOYSA-N
TotalMolweight	472.714
Molweight	472.714
MonoisotopicMass	470.994423
CLogP	5.2065
CLogS	-7.726
H Acceptors	6
TotalSurfaceArea	326.73
Relative PSA	0.17911
PolarSurfaceArea	78.49
Druglikeness	-3.2948
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one | 2 - 6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

Request More Details | 6-chloro-3-(2,6-dichlorophenyl)-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments