(E)-4-oxo-4-(prop-2-ynylamino)but-2-enoic acid

Formula:C7H7NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-(prop-2-ynylamino)but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-(prop-2-ynylamino)but-2-enoic acid
MolecularFormula	C7H7NO3
Smiles	C#CCNC(/C=C/C(O)=O)=O
InChI	InChI=1S/C7H7NO3/c1-2-5-8-6(9)3-4-7(10)11/h1,3-4H,5H2,(H,8,9)(H,10,11)
InChIK	HALRXTZFQAPCDC-UHFFFAOYSA-N
TotalMolweight	153.137
Molweight	153.137
MonoisotopicMass	153.042594
CLogP	-0.9379
CLogS	-0.862
H Acceptors	4
H Donors	2
TotalSurfaceArea	130.88
Relative PSA	0.38692
PolarSurfaceArea	66.4
Druglikeness	1.6363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.81818
Fragments	1
Non HAtoms	11
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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