2-chloro-5-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoic acid

Formula:C20H11NO3ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C20H11NO3ClF
Smiles	N#C/C(/c(cccc1)c1F)=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C20H11ClFNO3/c21-17-7-5-12(10-16(17)20(24)25)19-8-6-14(26-19)9-13(11-23)15-3-1-2-4-18(15)22/h1-10H,(H,24,25)
InChIK	IVEZLHFDRPSXSY-UHFFFAOYSA-N
TotalMolweight	367.762
Molweight	367.762
MonoisotopicMass	367.041149
CLogP	4.4634
CLogS	-6.152
H Acceptors	4
H Donors	1
TotalSurfaceArea	274.76
Relative PSA	0.19584
PolarSurfaceArea	74.23
Druglikeness	-4.6868
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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