2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

Formula:C22H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
MolecularFormula	C22H17N3O3
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2c3cccc2)N(c2ccccc2)C3=O)cc1)=O
InChI	InChI=1S/C22H17N3O3/c26-22-19-8-4-5-9-20(19)23-21(24(22)17-6-2-1-3-7-17)15-12-16-10-13-18(14-11-16)25(27)28/h1-15,21,23H/t21-/m0/s1
InChIK	HMQZHXWYVXYSSK-NRFANRHFSA-N
TotalMolweight	371.395
Molweight	371.395
MonoisotopicMass	371.126992
CLogP	3.5823
CLogS	-5.631
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.46
Relative PSA	0.20774
PolarSurfaceArea	78.16
Druglikeness	-3.2972
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	racemate

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