(E)-4-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobut-2-enoic acid

Formula:C18H12N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C18H12N3O4Cl
Smiles	OC(/C=C/C(Nc(cccc1)c1-c1nnc(-c(cc2)ccc2Cl)o1)=O)=O
InChI	InChI=1S/C18H12ClN3O4/c19-12-7-5-11(6-8-12)17-21-22-18(26-17)13-3-1-2-4-14(13)20-15(23)9-10-16(24)25/h1-10H,(H,20,23)(H,24,25)
InChIK	MUCFOXPQALOQOH-UHFFFAOYSA-N
TotalMolweight	369.763
Molweight	369.763
MonoisotopicMass	369.051634
CLogP	2.8177
CLogS	-6.355
H Acceptors	7
H Donors	2
TotalSurfaceArea	275.22
Relative PSA	0.31498
PolarSurfaceArea	105.32
Druglikeness	2.2283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
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
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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