4-chloro-3-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid

Formula:C13H8NO5Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-chloro-3-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid
MolecularFormula	C13H8NO5Cl
Smiles	[O-][N+](/C=C/c1ccc(-c(cc(cc2)C(O)=O)c2Cl)o1)=O
InChI	InChI=1S/C13H8ClNO5/c14-11-3-1-8(13(16)17)7-10(11)12-4-2-9(20-12)5-6-15(18)19/h1-7H,(H,16,17)
InChIK	GMZKANLQMXHBDG-UHFFFAOYSA-N
TotalMolweight	293.662
Molweight	293.662
MonoisotopicMass	293.009101
CLogP	1.7998
CLogS	-4.835
H Acceptors	6
H Donors	1
TotalSurfaceArea	212.4
Relative PSA	0.33272
PolarSurfaceArea	96.26
Druglikeness	-4.4136
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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