benzyl (E)-3-(furan-2-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate

Formula:C21H16NO4I Mutagenic:high Tumorigenic:none Reproductive Effective:none benzyl (E)-3-(furan-2-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate is a drug-like molecule.

MolName	benzyl (E)-3-(furan-2-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate
MolecularFormula	C21H16NO4I
Smiles	O=C(/C(/NC(c(cccc1)c1I)=O)=C\c1ccco1)OCc1ccccc1
InChI	InChI=1S/C21H16INO4/c22-18-11-5-4-10-17(18)20(24)23-19(13-16-9-6-12-26-16)21(25)27-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,24)
InChIK	MKJSFQHNIAUQHW-UHFFFAOYSA-N
TotalMolweight	473.261
Molweight	473.261
MonoisotopicMass	473.012407
CLogP	4.2332
CLogS	-5.523
H Acceptors	5
H Donors	1
TotalSurfaceArea	304.18
Relative PSA	0.20268
PolarSurfaceArea	68.54
Druglikeness	2.7068
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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