(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one

Formula:C14H12NOF5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one is a drug-like molecule.

MolName	(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one
MolecularFormula	C14H12NOF5
Smiles	O=C(C(C(F)(F)F)(F)F)/C=C/N(CC1)Cc2c1cccc2
InChI	InChI=1S/C14H12F5NO/c15-13(16,14(17,18)19)12(21)6-8-20-7-5-10-3-1-2-4-11(10)9-20/h1-4,6,8H,5,7,9H2
InChIK	MBMNXDDSCMRIDC-UHFFFAOYSA-N
TotalMolweight	305.245
Molweight	305.245
MonoisotopicMass	305.083904
CLogP	2.5873
CLogS	-3.653
H Acceptors	2
TotalSurfaceArea	208.16
Relative PSA	0.079698
PolarSurfaceArea	20.31
Druglikeness	-62.44
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	3
StereoCon

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