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

Formula:C16H12N3O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C16H12N3O7Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCC(O)=O)=O)/NC(c(o2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C16H12BrN3O7/c17-13-5-4-12(27-13)16(24)19-11(15(23)18-8-14(21)22)7-9-2-1-3-10(6-9)20(25)26/h1-7H,8H2,(H,18,23)(H,19,24)(H,21,22)
InChIK	QRGBMSVMJLKNPL-UHFFFAOYSA-N
TotalMolweight	438.189
Molweight	438.189
MonoisotopicMass	436.985863
CLogP	0.9348
CLogS	-3.88
H Acceptors	10
H Donors	3
TotalSurfaceArea	286
Relative PSA	0.41843
PolarSurfaceArea	154.46
Druglikeness	-8.76
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	2
AcidicOxygens	2
StereoCon

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

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