(2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Formula:C20H20N2OClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.

MolName	(2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
MolecularFormula	C20H20N2OClF2
Smiles	O=C(c(cc(c(F)c1)F)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H19ClF2N2O/c21-17-14-19(23)18(22)13-16(17)20(26)25-11-9-24(10-12-25)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/p+1
InChIK	ICNZNBWDMXMLIV-UHFFFAOYSA-O
TotalMolweight	377.841
Molweight	377.841
MonoisotopicMass	377.123221
CLogP	2.3205
CLogS	-4.032
H Acceptors	3
H Donors	1
TotalSurfaceArea	295.33
Relative PSA	0.11573
PolarSurfaceArea	24.75
Druglikeness	1.6505
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone | 2 - (2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Request More Details | (2-chloro-4,5-difluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments