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

Formula:C20H13N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(3-hydroxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(3-hydroxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H13N3O5
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cc(O)ccc3)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H13N3O5/c24-14-5-3-4-13(12-14)22-18(10-8-15-9-11-19(28-15)23(26)27)21-17-7-2-1-6-16(17)20(22)25/h1-12,24H
InChIK	NEPVSKGTUMGMPB-UHFFFAOYSA-N
TotalMolweight	375.339
Molweight	375.339
MonoisotopicMass	375.085522
CLogP	2.5829
CLogS	-5.429
H Acceptors	8
H Donors	1
TotalSurfaceArea	276.51
Relative PSA	0.31004
PolarSurfaceArea	111.86
Druglikeness	-1.0487
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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