(E)-4-(cycloheptylamino)-4-oxobut-2-enoic acid

Formula:C11H17NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(cycloheptylamino)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-(cycloheptylamino)-4-oxobut-2-enoic acid
MolecularFormula	C11H17NO3
Smiles	OC(/C=C/C(NC1CCCCCC1)=O)=O
InChI	InChI=1S/C11H17NO3/c13-10(7-8-11(14)15)12-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIK	JARATTBMUWNTGY-UHFFFAOYSA-N
TotalMolweight	211.26
Molweight	211.26
MonoisotopicMass	211.120844
CLogP	0.9326
CLogS	-2.082
H Acceptors	4
H Donors	2
TotalSurfaceArea	174.87
Relative PSA	0.28959
PolarSurfaceArea	66.4
Druglikeness	-2.8077
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Sp3Atoms	8
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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