(E)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobut-2-enoic acid

Formula:C18H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobut-2-enoic acid
MolecularFormula	C18H16N2O4
Smiles	OC(/C=C/C(NNC(C(c1ccccc1)c1ccccc1)=O)=O)=O
InChI	InChI=1S/C18H16N2O4/c21-15(11-12-16(22)23)19-20-18(24)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,19,21)(H,20,24)(H,22,23)
InChIK	KSLSNCWMICFNDU-UHFFFAOYSA-N
TotalMolweight	324.335
Molweight	324.335
MonoisotopicMass	324.111008
CLogP	1.0798
CLogS	-3.041
H Acceptors	6
H Donors	3
TotalSurfaceArea	254.54
Relative PSA	0.2952
PolarSurfaceArea	95.5
Druglikeness	2.789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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