(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

Formula:C23H15O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
MolecularFormula	C23H15O3Br
Smiles	Oc(c1ccccc1cc1)c1C(/C=C/c1ccc(-c(cc2)ccc2Br)o1)=O
InChI	InChI=1S/C23H15BrO3/c24-17-8-5-16(6-9-17)22-14-11-18(27-22)10-13-21(25)20-12-7-15-3-1-2-4-19(15)23(20)26/h1-14,26H
InChIK	XBSIWIGAUNFYTB-UHFFFAOYSA-N
TotalMolweight	419.273
Molweight	419.273
MonoisotopicMass	418.020456
CLogP	5.8166
CLogS	-7.444
H Acceptors	3
H Donors	1
TotalSurfaceArea	286.3
Relative PSA	0.14059
PolarSurfaceArea	50.44
Druglikeness	-0.015953
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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