3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Formula:C17H15N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C17H15N3O5
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCCO)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C17H15N3O5/c21-11-3-10-19-15(8-6-12-7-9-16(25-12)20(23)24)18-14-5-2-1-4-13(14)17(19)22/h1-2,4-9,21H,3,10-11H2
InChIK	PPWMMWQBJRDQFH-UHFFFAOYSA-N
TotalMolweight	341.322
Molweight	341.322
MonoisotopicMass	341.101172
CLogP	1.3674
CLogS	-3.943
H Acceptors	8
H Donors	1
TotalSurfaceArea	258.03
Relative PSA	0.33225
PolarSurfaceArea	111.86
Druglikeness	-1.6367
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one | 2 - 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Request More Details | 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments