4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-iodophenoxy]methyl]benzoic acid

Formula:C22H19N2O5I Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-iodophenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-iodophenoxy]methyl]benzoic acid
MolecularFormula	C22H19N2O5I
Smiles	N#C/C(/C(N1CCOCC1)=O)=C\c(cc1)cc(I)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C22H19IN2O5/c23-19-12-16(11-18(13-24)21(26)25-7-9-29-10-8-25)3-6-20(19)30-14-15-1-4-17(5-2-15)22(27)28/h1-6,11-12H,7-10,14H2,(H,27,28)
InChIK	TYRIMSHIYDGUGF-UHFFFAOYSA-N
TotalMolweight	518.302
Molweight	518.302
MonoisotopicMass	518.033871
CLogP	2.7854
CLogS	-4.338
H Acceptors	7
H Donors	1
TotalSurfaceArea	333.17
Relative PSA	0.22898
PolarSurfaceArea	99.86
Druglikeness	-0.19752
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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