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

Formula:C19H11N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[4-cyano-3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[4-cyano-3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid
MolecularFormula	C19H11N3O3Cl2
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2C(O)=O)onc1-c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C19H11Cl2N3O3/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	TUUKNZOJDDSAMY-UHFFFAOYSA-N
TotalMolweight	400.22
Molweight	400.22
MonoisotopicMass	399.017746
CLogP	3.7845
CLogS	-6.855
H Acceptors	6
H Donors	2
TotalSurfaceArea	295.84
Relative PSA	0.25771
PolarSurfaceArea	99.15
Druglikeness	-2.6228
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	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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