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

Formula:C19H17N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3-hydroxypropyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(3-hydroxypropyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C19H17N3O4
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCCO)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C19H17N3O4/c23-13-3-12-21-18(20-17-5-2-1-4-16(17)19(21)24)11-8-14-6-9-15(10-7-14)22(25)26/h1-2,4-11,23H,3,12-13H2
InChIK	OVVLEMVSRJFGFS-UHFFFAOYSA-N
TotalMolweight	351.361
Molweight	351.361
MonoisotopicMass	351.121907
CLogP	1.8273
CLogS	-3.736
H Acceptors	7
H Donors	1
TotalSurfaceArea	268.34
Relative PSA	0.2669
PolarSurfaceArea	98.72
Druglikeness	-3.6838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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