(E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Formula:C16H12NO5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
MolecularFormula	C16H12NO5Br
Smiles	[O-][N+](c1cccc(COc(ccc(/C=C/C(O)=O)c2)c2Br)c1)=O
InChI	InChI=1S/C16H12BrNO5/c17-14-9-11(5-7-16(19)20)4-6-15(14)23-10-12-2-1-3-13(8-12)18(21)22/h1-9H,10H2,(H,19,20)
InChIK	UKFZCJAWAJXWMI-UHFFFAOYSA-N
TotalMolweight	378.177
Molweight	378.177
MonoisotopicMass	376.989885
CLogP	2.6256
CLogS	-4.634
H Acceptors	6
H Donors	1
TotalSurfaceArea	249.68
Relative PSA	0.26658
PolarSurfaceArea	92.35
Druglikeness	-6.8353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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