(E)-4-oxo-4-(2-thieno[2,3-d]pyrimidin-4-ylhydrazinyl)but-2-enoic acid

Formula:C10H8N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-(2-thieno[2,3-d]pyrimidin-4-ylhydrazinyl)but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-(2-thieno[2,3-d]pyrimidin-4-ylhydrazinyl)but-2-enoic acid
MolecularFormula	C10H8N4O3S
Smiles	OC(/C=C/C(NNc1c(ccs2)c2ncn1)=O)=O
InChI	InChI=1S/C10H8N4O3S/c15-7(1-2-8(16)17)13-14-9-6-3-4-18-10(6)12-5-11-9/h1-5H,(H,13,15)(H,16,17)(H,11,12,14)
InChIK	DBSSRWBBBVVETR-UHFFFAOYSA-N
TotalMolweight	264.265
Molweight	264.265
MonoisotopicMass	264.031711
CLogP	1.017
CLogS	-2.842
H Acceptors	7
H Donors	3
TotalSurfaceArea	192.59
Relative PSA	0.54208
PolarSurfaceArea	132.45
Druglikeness	2.3216
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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