4-[[(E)-2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid

Formula:C19H11N3O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid
MolecularFormula	C19H11N3O3ClF
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2C(O)=O)onc1-c(c(F)ccc1)c1Cl
InChI	InChI=1S/C19H11ClFN3O3/c20-14-2-1-3-15(21)17(14)18-13(10-22)16(27-24-18)8-9-23-12-6-4-11(5-7-12)19(25)26/h1-9,23H,(H,25,26)
InChIK	RDSJFPBXMPCONF-UHFFFAOYSA-N
TotalMolweight	383.765
Molweight	383.765
MonoisotopicMass	383.047297
CLogP	3.2793
CLogS	-6.433
H Acceptors	6
H Donors	2
TotalSurfaceArea	286.77
Relative PSA	0.26586
PolarSurfaceArea	99.15
Druglikeness	-3.9628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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