(4-nitrophenyl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C14H10NO5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (4-nitrophenyl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	(4-nitrophenyl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C14H10NO5Br
Smiles	[O-][N+](c1ccc(COC(/C=C/c(o2)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C14H10BrNO5/c15-13-7-5-12(21-13)6-8-14(17)20-9-10-1-3-11(4-2-10)16(18)19/h1-8H,9H2
InChIK	PBEKLUCGHUXUJM-UHFFFAOYSA-N
TotalMolweight	352.139
Molweight	352.139
MonoisotopicMass	350.974235
CLogP	2.4096
CLogS	-4.189
H Acceptors	6
TotalSurfaceArea	233.02
Relative PSA	0.28998
PolarSurfaceArea	85.26
Druglikeness	-9.9105
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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