(E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one

Formula:C15H21N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C15H21N2O2F3
Smiles	O=C(C(CCC1)N1/C=C/C(C(F)(F)F)=O)N1CCCCCC1
InChI	InChI=1S/C15H21F3N2O2/c16-15(17,18)13(21)7-11-19-10-5-6-12(19)14(22)20-8-3-1-2-4-9-20/h7,11-12H,1-6,8-10H2/t12-/m0/s1
InChIK	ZZBXZKXPDDBQPH-LBPRGKRZSA-N
TotalMolweight	318.338
Molweight	318.338
MonoisotopicMass	318.155512
CLogP	1.899
CLogS	-2.658
H Acceptors	4
TotalSurfaceArea	234.9
Relative PSA	0.14125
PolarSurfaceArea	40.62
Druglikeness	-30.553
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Sp3Atoms	11
Symmetricatoms	5
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one

Request More Details | (E)-4-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,1,1-trifluorobut-3-en-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments