(E)-3-[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Formula:C16H11NO5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
MolecularFormula	C16H11NO5Br2
Smiles	[O-][N+](c1cccc(COc(c(Br)cc(/C=C/C(O)=O)c2)c2Br)c1)=O
InChI	InChI=1S/C16H11Br2NO5/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)24-9-11-2-1-3-12(6-11)19(22)23/h1-8H,9H2,(H,20,21)
InChIK	YYBOWSOFPVMSRF-UHFFFAOYSA-N
TotalMolweight	457.073
Molweight	457.073
MonoisotopicMass	454.900396
CLogP	3.3508
CLogS	-5.468
H Acceptors	6
H Donors	1
TotalSurfaceArea	268.31
Relative PSA	0.24807
PolarSurfaceArea	92.35
Druglikeness	-6.8353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
AcidicOxygens	2
StereoCon

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