3-(4-bromophenyl)-2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinazolin-4-one

Formula:C24H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(4-bromophenyl)-2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinazolin-4-one
MolecularFormula	C24H17N2O3Br
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(cc2)cc3c2OCCO3)N1c(cc1)ccc1Br
InChI	InChI=1S/C24H17BrN2O3/c25-17-7-9-18(10-8-17)27-23(26-20-4-2-1-3-19(20)24(27)28)12-6-16-5-11-21-22(15-16)30-14-13-29-21/h1-12,15H,13-14H2
InChIK	HOBWLOAUGNRWID-UHFFFAOYSA-N
TotalMolweight	461.314
Molweight	461.314
MonoisotopicMass	460.042254
CLogP	5.0141
CLogS	-6.074
H Acceptors	5
TotalSurfaceArea	309.45
Relative PSA	0.15544
PolarSurfaceArea	51.13
Druglikeness	-7.1654
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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