(E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid

Formula:C13H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid
MolecularFormula	C13H11N3O3
Smiles	OC(/C=C/C(Nc1ccnn1-c1ccccc1)=O)=O
InChI	InChI=1S/C13H11N3O3/c17-12(6-7-13(18)19)15-11-8-9-14-16(11)10-4-2-1-3-5-10/h1-9H,(H,15,17)(H,18,19)
InChIK	QJYPDGGADZJDDT-UHFFFAOYSA-N
TotalMolweight	257.248
Molweight	257.248
MonoisotopicMass	257.080042
CLogP	0.2638
CLogS	-2.005
H Acceptors	6
H Donors	2
TotalSurfaceArea	200.79
Relative PSA	0.34105
PolarSurfaceArea	84.22
Druglikeness	4.1272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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