3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C17H14N3O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H14N3O7Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCC(O)=O)=O)/NC(c(o2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C17H14BrN3O7/c18-14-5-4-13(28-14)17(25)20-12(16(24)19-7-6-15(22)23)9-10-2-1-3-11(8-10)21(26)27/h1-5,8-9H,6-7H2,(H,19,24)(H,20,25)(H,22,23)
InChIK	LMYGSYGXSHSMJK-UHFFFAOYSA-N
TotalMolweight	452.216
Molweight	452.216
MonoisotopicMass	451.001513
CLogP	1.3892
CLogS	-4.15
H Acceptors	10
H Donors	3
TotalSurfaceArea	299.76
Relative PSA	0.39922
PolarSurfaceArea	154.46
Druglikeness	-3.7099
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

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