(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobut-2-enoate

Formula:C13H12NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobut-2-enoate
MolecularFormula	C13H12NO3
Smiles	[O-]C(/C=C/C(N(CCC1)c2c1cccc2)=O)=O
InChI	InChI=1S/C13H13NO3/c15-12(7-8-13(16)17)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6-8H,3,5,9H2,(H,16,17)/p-1
InChIK	CBGATFOXQAAEQZ-UHFFFAOYSA-M
TotalMolweight	230.242
Molweight	230.242
MonoisotopicMass	230.081719
CLogP	-0.6036
CLogS	-2.34
H Acceptors	4
TotalSurfaceArea	180.87
Relative PSA	0.24277
PolarSurfaceArea	60.44
Druglikeness	1.184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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