2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxoinden-1-olate

Formula:C18H10O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxoinden-1-olate is a drug-like molecule.

MolName	2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxoinden-1-olate
MolecularFormula	C18H10O3I
Smiles	[O-]C(c1c2cccc1)=C(C(/C=C/c(cc1)ccc1I)=O)C2=O
InChI	InChI=1S/C18H11IO3/c19-12-8-5-11(6-9-12)7-10-15(20)16-17(21)13-3-1-2-4-14(13)18(16)22/h1-10,21H/p-1
InChIK	XBSKSNSLHMLAJW-UHFFFAOYSA-M
TotalMolweight	401.174
Molweight	401.174
MonoisotopicMass	400.967468
CLogP	1.3533
CLogS	-4.889
H Acceptors	3
TotalSurfaceArea	238.25
Relative PSA	0.1694
PolarSurfaceArea	57.2
Druglikeness	1.8261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59091
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	1
Symmetricatoms	2
StereoCon

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