2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]acetic acid

Formula:C16H12N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C16H12N2O5Br2
Smiles	OC(CNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H12Br2N2O5/c17-10-3-1-9(2-4-10)7-11(15(23)19-8-14(21)22)20-16(24)12-5-6-13(18)25-12/h1-7H,8H2,(H,19,23)(H,20,24)(H,21,22)
InChIK	SVGIBGNGONGKEP-UHFFFAOYSA-N
TotalMolweight	472.088
Molweight	472.088
MonoisotopicMass	469.911295
CLogP	2.5816
CLogS	-4.254
H Acceptors	7
H Donors	3
TotalSurfaceArea	280.96
Relative PSA	0.31766
PolarSurfaceArea	108.64
Druglikeness	-3.7695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]acetic acid

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