(Z)-3-bromo-3-(4-nitrophenyl)prop-2-enoic acid

Formula:C9H6NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-bromo-3-(4-nitrophenyl)prop-2-enoic acid is a drug-like molecule.

MolName	(Z)-3-bromo-3-(4-nitrophenyl)prop-2-enoic acid
MolecularFormula	C9H6NO4Br
Smiles	[O-][N+](c(cc1)ccc1/C(/Br)=C/C(O)=O)=O
InChI	InChI=1S/C9H6BrNO4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-5H,(H,12,13)
InChIK	XKZDUCREGROOCM-UHFFFAOYSA-N
TotalMolweight	272.054
Molweight	272.054
MonoisotopicMass	270.94802
CLogP	0.962
CLogS	-1.75
H Acceptors	5
H Donors	1
TotalSurfaceArea	164.37
Relative PSA	0.3441
PolarSurfaceArea	83.12
Druglikeness	-10.72
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; 3-halo-enone
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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