(E)-3-(4-hydroxyphenyl)-2-[(2-iodobenzoyl)amino]prop-2-enoic acid

Formula:C16H12NO4I Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(4-hydroxyphenyl)-2-[(2-iodobenzoyl)amino]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(4-hydroxyphenyl)-2-[(2-iodobenzoyl)amino]prop-2-enoic acid
MolecularFormula	C16H12NO4I
Smiles	OC(/C(/NC(c(cccc1)c1I)=O)=C\c(cc1)ccc1O)=O
InChI	InChI=1S/C16H12INO4/c17-13-4-2-1-3-12(13)15(20)18-14(16(21)22)9-10-5-7-11(19)8-6-10/h1-9,19H,(H,18,20)(H,21,22)
InChIK	VKLXLVSWOZIPLZ-UHFFFAOYSA-N
TotalMolweight	409.174
Molweight	409.174
MonoisotopicMass	408.981107
CLogP	2.8528
CLogS	-4.094
H Acceptors	5
H Donors	3
TotalSurfaceArea	243.67
Relative PSA	0.26158
PolarSurfaceArea	86.63
Druglikeness	0.098406
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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