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

Formula:C19H16N3O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C19H16N3O4I
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCCO)=Nc(ccc(I)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C19H16IN3O4/c20-14-5-8-17-16(12-14)19(25)22(10-1-11-24)18(21-17)9-4-13-2-6-15(7-3-13)23(26)27/h2-9,12,24H,1,10-11H2
InChIK	BYOUXYOJTSLKKH-UHFFFAOYSA-N
TotalMolweight	477.253
Molweight	477.253
MonoisotopicMass	477.018555
CLogP	2.2644
CLogS	-4.752
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.62
Relative PSA	0.24309
PolarSurfaceArea	98.72
Druglikeness	-3.1967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments