(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid

Formula:C12H17NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
MolecularFormula	C12H17NO3
Smiles	OC(/C=C/C(NCCC1=CCCCC1)=O)=O
InChI	InChI=1S/C12H17NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,13,14)(H,15,16)
InChIK	DUMIYBZROAZLRP-UHFFFAOYSA-N
TotalMolweight	223.271
Molweight	223.271
MonoisotopicMass	223.120844
CLogP	1.1352
CLogS	-1.87
H Acceptors	4
H Donors	2
TotalSurfaceArea	187.08
Relative PSA	0.27069
PolarSurfaceArea	66.4
Druglikeness	-3.8865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Sp3Atoms	7
Amides	1
AcidicOxygens	1
StereoCon

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