N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-iodobenzamide

Formula:C18H17N2O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-iodobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-iodobenzamide
MolecularFormula	C18H17N2O3I
Smiles	OCCNC(/C(/NC(c(cccc1)c1I)=O)=C\c1ccccc1)=O
InChI	InChI=1S/C18H17IN2O3/c19-15-9-5-4-8-14(15)17(23)21-16(18(24)20-10-11-22)12-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2,(H,20,24)(H,21,23)
InChIK	PTKCVHSYDJPSLR-UHFFFAOYSA-N
TotalMolweight	436.244
Molweight	436.244
MonoisotopicMass	436.028391
CLogP	2.6318
CLogS	-4.175
H Acceptors	5
H Donors	3
TotalSurfaceArea	276.3
Relative PSA	0.22476
PolarSurfaceArea	78.43
Druglikeness	3.9318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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