2-[(E)-2-(4-nitrophenyl)ethenyl]-3-pyridin-4-ylquinazolin-4-one

Formula:C21H14N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-nitrophenyl)ethenyl]-3-pyridin-4-ylquinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-nitrophenyl)ethenyl]-3-pyridin-4-ylquinazolin-4-one
MolecularFormula	C21H14N4O3
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3ccncc3)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C21H14N4O3/c26-21-18-3-1-2-4-19(18)23-20(24(21)16-11-13-22-14-12-16)10-7-15-5-8-17(9-6-15)25(27)28/h1-14H
InChIK	UVWWUAKCVWKTDM-UHFFFAOYSA-N
TotalMolweight	370.367
Molweight	370.367
MonoisotopicMass	370.106591
CLogP	2.3876
CLogS	-4.723
H Acceptors	7
TotalSurfaceArea	279.23
Relative PSA	0.24886
PolarSurfaceArea	91.38
Druglikeness	-3.3695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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