(E)-1-[benzyl(2-hydroxyethyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one

Formula:C14H14NO2F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[benzyl(2-hydroxyethyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one is a drug-like molecule.

MolName	(E)-1-[benzyl(2-hydroxyethyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one
MolecularFormula	C14H14NO2F5
Smiles	OCCN(Cc1ccccc1)/C=C/C(C(C(F)(F)F)(F)F)=O
InChI	InChI=1S/C14H14F5NO2/c15-13(16,14(17,18)19)12(22)6-7-20(8-9-21)10-11-4-2-1-3-5-11/h1-7,21H,8-10H2
InChIK	SNRGSMMXURPXPG-UHFFFAOYSA-N
TotalMolweight	323.26
Molweight	323.26
MonoisotopicMass	323.094469
CLogP	1.9711
CLogS	-3.097
H Acceptors	3
H Donors	1
TotalSurfaceArea	228.01
Relative PSA	0.13021
PolarSurfaceArea	40.54
Druglikeness	-62.396
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	5
StereoCon

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