2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C21H14N3O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H14N3O7Br
Smiles	[O-][N+](c1ccc(/C=C(/C(Nc(cccc2)c2C(O)=O)=O)\NC(c(o2)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C21H14BrN3O7/c22-18-10-9-17(32-18)20(27)24-16(11-12-5-7-13(8-6-12)25(30)31)19(26)23-15-4-2-1-3-14(15)21(28)29/h1-11H,(H,23,26)(H,24,27)(H,28,29)
InChIK	YNIZYJUJILYEQT-UHFFFAOYSA-N
TotalMolweight	500.26
Molweight	500.26
MonoisotopicMass	499.001513
CLogP	2.9986
CLogS	-5.625
H Acceptors	10
H Donors	3
TotalSurfaceArea	332
Relative PSA	0.36045
PolarSurfaceArea	154.46
Druglikeness	-4.325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid | 2 - 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

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