(E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide

Formula:C15H18N2O2Cl3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide
MolecularFormula	C15H18N2O2Cl3
Smiles	O=C(/C=C/c1ccccc1)N[C@H](C(Cl)(Cl)Cl)[NH+]1CCOCC1
InChI	InChI=1S/C15H17Cl3N2O2/c16-15(17,18)14(20-8-10-22-11-9-20)19-13(21)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2,(H,19,21)/p+1/t14-/m0/s1
InChIK	OYSIKABTKLFMDM-AWEZNQCLSA-O
TotalMolweight	364.679
Molweight	364.679
MonoisotopicMass	363.043384
CLogP	0.6502
CLogS	-3.003
H Acceptors	4
H Donors	2
TotalSurfaceArea	274.02
Relative PSA	0.1901
PolarSurfaceArea	42.77
Druglikeness	-1.9477
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	6
Amides	1
BasicNitrogens	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide

Request More Details | (E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments