2-[[(E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid

Formula:C18H15N2O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
MolecularFormula	C18H15N2O4I
Smiles	OC(CNC(/C(/NC(c(cc1)ccc1I)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C18H15IN2O4/c19-14-8-6-13(7-9-14)17(24)21-15(18(25)20-11-16(22)23)10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,25)(H,21,24)(H,22,23)
InChIK	FYRHEWUORNHSFD-UHFFFAOYSA-N
TotalMolweight	450.227
Molweight	450.227
MonoisotopicMass	450.007656
CLogP	2.2822
CLogS	-4.157
H Acceptors	6
H Donors	3
TotalSurfaceArea	280.29
Relative PSA	0.26808
PolarSurfaceArea	95.5
Druglikeness	-1.0801
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid

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