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

Formula:C22H14N3O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
MolecularFormula	C22H14N3O3Cl
Smiles	[O-][N+](c(cccc1)c1N(C(/C=C/c(cccc1)c1Cl)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C22H14ClN3O3/c23-17-9-3-1-7-15(17)13-14-21-24-18-10-4-2-8-16(18)22(27)25(21)19-11-5-6-12-20(19)26(28)29/h1-14H
InChIK	QIFAFERBRAEGDS-UHFFFAOYSA-N
TotalMolweight	403.824
Molweight	403.824
MonoisotopicMass	403.072369
CLogP	3.9945
CLogS	-6.254
H Acceptors	6
TotalSurfaceArea	295.89
Relative PSA	0.19778
PolarSurfaceArea	78.49
Druglikeness	-3.2948
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one

Request More Details | 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments