(E)-3-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

Formula:C13H13NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
MolecularFormula	C13H13NOClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CCCC1
InChI	InChI=1S/C13H13ClFNO/c14-11-4-3-5-12(15)10(11)6-7-13(17)16-8-1-2-9-16/h3-7H,1-2,8-9H2
InChIK	UJVDZDXNWBVJFO-UHFFFAOYSA-N
TotalMolweight	253.703
Molweight	253.703
MonoisotopicMass	253.066969
CLogP	3.1919
CLogS	-3.365
H Acceptors	2
TotalSurfaceArea	191.12
Relative PSA	0.086804
PolarSurfaceArea	20.31
Druglikeness	1.1268
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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
Symmetricatoms	2
Amides	1
StereoCon

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