2-chloro-5-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate

Formula:C13H7NO5Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-chloro-5-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate
MolecularFormula	C13H7NO5Cl
Smiles	[O-]C(c(cc(cc1)-c2ccc(/C=C/[N+]([O-])=O)o2)c1Cl)=O
InChI	InChI=1S/C13H8ClNO5/c14-11-3-1-8(7-10(11)13(16)17)12-4-2-9(20-12)5-6-15(18)19/h1-7H,(H,16,17)/p-1
InChIK	RVIQQHUTESHFRT-UHFFFAOYSA-M
TotalMolweight	292.654
Molweight	292.654
MonoisotopicMass	292.001276
CLogP	-0.2762
CLogS	-4.835
H Acceptors	6
TotalSurfaceArea	213.58
Relative PSA	0.33641
PolarSurfaceArea	99.09
Druglikeness	-4.2102
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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