[2-(4-iodoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C15H12NO4I Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(4-iodoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-iodoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H12NO4I
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc(cc1)ccc1I
InChI	InChI=1S/C15H12INO4/c16-11-3-5-12(6-4-11)17-14(18)10-21-15(19)8-7-13-2-1-9-20-13/h1-9H,10H2,(H,17,18)
InChIK	MIMUTLHLARHATJ-UHFFFAOYSA-N
TotalMolweight	397.163
Molweight	397.163
MonoisotopicMass	396.981107
CLogP	2.32
CLogS	-4.099
H Acceptors	5
H Donors	1
TotalSurfaceArea	246.21
Relative PSA	0.2504
PolarSurfaceArea	68.54
Druglikeness	0.65365
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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