3-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-4-one

Formula:C18H12O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-4-one is a drug-like molecule.

MolName	3-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-4-one
MolecularFormula	C18H12O4
Smiles	Oc(cc1)ccc1C(/C=C/C1=COc(cccc2)c2C1=O)=O
InChI	InChI=1S/C18H12O4/c19-14-8-5-12(6-9-14)16(20)10-7-13-11-22-17-4-2-1-3-15(17)18(13)21/h1-11,19H
InChIK	HGNPCPAUONWXQF-UHFFFAOYSA-N
TotalMolweight	292.289
Molweight	292.289
MonoisotopicMass	292.07356
CLogP	2.7138
CLogS	-4.114
H Acceptors	4
H Donors	1
TotalSurfaceArea	222.58
Relative PSA	0.22095
PolarSurfaceArea	63.6
Druglikeness	0.81939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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