4-chloro-3-[5-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate

Formula:C21H11N2O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	4-chloro-3-[5-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C21H11N2O4ClF
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c1ccc(-c(cc(cc2)C([O-])=O)c2Cl)o1
InChI	InChI=1S/C21H12ClFN2O4/c22-18-7-1-12(21(27)28)10-17(18)19-8-6-16(29-19)9-13(11-24)20(26)25-15-4-2-14(23)3-5-15/h1-10H,(H,25,26)(H,27,28)/p-1
InChIK	URPNOQOCOJSXSO-UHFFFAOYSA-M
TotalMolweight	409.779
Molweight	409.779
MonoisotopicMass	409.039138
CLogP	2.0431
CLogS	-6.293
H Acceptors	6
H Donors	1
TotalSurfaceArea	305.15
Relative PSA	0.26049
PolarSurfaceArea	106.16
Druglikeness	-1.9083
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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