[3-(4-bromophenyl)-4-oxochromen-7-yl] (E)-3-phenylprop-2-enoate

Formula:C24H15O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-(4-bromophenyl)-4-oxochromen-7-yl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[3-(4-bromophenyl)-4-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
MolecularFormula	C24H15O4Br
Smiles	O=C(/C=C/c1ccccc1)Oc(cc1)cc(OC=C2c(cc3)ccc3Br)c1C2=O
InChI	InChI=1S/C24H15BrO4/c25-18-9-7-17(8-10-18)21-15-28-22-14-19(11-12-20(22)24(21)27)29-23(26)13-6-16-4-2-1-3-5-16/h1-15H
InChIK	MUFGDQIXSNAPBD-UHFFFAOYSA-N
TotalMolweight	447.283
Molweight	447.283
MonoisotopicMass	446.015371
CLogP	5.1492
CLogS	-6.289
H Acceptors	4
TotalSurfaceArea	304.62
Relative PSA	0.15127
PolarSurfaceArea	52.6
Druglikeness	-3.7947
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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