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

Formula:C19H13N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-(4-cyano-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-(4-cyano-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoic acid
MolecularFormula	C19H13N3O3
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2C(O)=O)onc1-c1ccccc1
InChI	InChI=1S/C19H13N3O3/c20-12-16-17(25-22-18(16)13-4-2-1-3-5-13)10-11-21-15-8-6-14(7-9-15)19(23)24/h1-11,21H,(H,23,24)
InChIK	OUDASKLYEJGDGK-UHFFFAOYSA-N
TotalMolweight	331.33
Molweight	331.33
MonoisotopicMass	331.095692
CLogP	2.5725
CLogS	-5.383
H Acceptors	6
H Donors	2
TotalSurfaceArea	265
Relative PSA	0.2877
PolarSurfaceArea	99.15
Druglikeness	-2.7076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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