2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one

Formula:C22H13N3O3FI Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one
MolecularFormula	C22H13N3O3FI
Smiles	[O-][N+](c1cccc(N(C(/C=C/c(cc2)ccc2F)=Nc(cc2)c3cc2I)C3=O)c1)=O
InChI	InChI=1S/C22H13FIN3O3/c23-15-7-4-14(5-8-15)6-11-21-25-20-10-9-16(24)12-19(20)22(28)26(21)17-2-1-3-18(13-17)27(29)30/h1-13H
InChIK	DASMNXDABLXQOT-UHFFFAOYSA-N
TotalMolweight	513.261
Molweight	513.261
MonoisotopicMass	512.998568
CLogP	3.9264
CLogS	-6.848
H Acceptors	6
TotalSurfaceArea	313.1
Relative PSA	0.18691
PolarSurfaceArea	78.49
Druglikeness	-4.1451
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
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
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one

Request More Details | 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments