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

Formula:C21H13N3O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate is a drug-like molecule.

MolName	2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
MolecularFormula	C21H13N3O7Br
Smiles	[O-]C(c(cccc1)c1NC(/C(/NC(c(o1)ccc1Br)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O)=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)/p-1
InChIK	YNIZYJUJILYEQT-UHFFFAOYSA-M
TotalMolweight	499.252
Molweight	499.252
MonoisotopicMass	497.993688
CLogP	0.9226
CLogS	-5.625
H Acceptors	10
H Donors	2
TotalSurfaceArea	333.18
Relative PSA	0.36272
PolarSurfaceArea	157.29
Druglikeness	-4.1538
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]benzoate | 2 - 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

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