N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-iodobenzamide

Formula:C19H19N2O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-iodobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-iodobenzamide
MolecularFormula	C19H19N2O3I
Smiles	OCCCNC(/C(/NC(c(cc1)ccc1I)=O)=C\c1ccccc1)=O
InChI	InChI=1S/C19H19IN2O3/c20-16-9-7-15(8-10-16)18(24)22-17(19(25)21-11-4-12-23)13-14-5-2-1-3-6-14/h1-3,5-10,13,23H,4,11-12H2,(H,21,25)(H,22,24)
InChIK	ZYHADOZPIHQLJQ-UHFFFAOYSA-N
TotalMolweight	450.271
Molweight	450.271
MonoisotopicMass	450.044041
CLogP	3.0862
CLogS	-4.445
H Acceptors	5
H Donors	3
TotalSurfaceArea	290.06
Relative PSA	0.21409
PolarSurfaceArea	78.43
Druglikeness	2.099
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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