(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one

Formula:C18H14NOF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C18H14NOF3
Smiles	O=C(C(F)(F)F)/C=C/N(c1c(CC2)cccc1)c1c2cccc1
InChI	InChI=1S/C18H14F3NO/c19-18(20,21)17(23)11-12-22-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)22/h1-8,11-12H,9-10H2
InChIK	LKQOFVWNMUXVCW-UHFFFAOYSA-N
TotalMolweight	317.309
Molweight	317.309
MonoisotopicMass	317.102748
CLogP	4.2367
CLogS	-5.68
H Acceptors	2
TotalSurfaceArea	231.05
Relative PSA	0.071803
PolarSurfaceArea	20.31
Druglikeness	-33.182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43478
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	9
StereoCon

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1 - (E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one

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