(E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide

Formula:C16H15N2O2Cl3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide
MolecularFormula	C16H15N2O2Cl3
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)NCc1ccco1
InChI	InChI=1S/C16H15Cl3N2O2/c17-16(18,19)15(20-11-13-7-4-10-23-13)21-14(22)9-8-12-5-2-1-3-6-12/h1-10,15,20H,11H2,(H,21,22)/t15-/m0/s1
InChIK	YFSLZOZAZSVVEF-HNNXBMFYSA-N
TotalMolweight	373.666
Molweight	373.666
MonoisotopicMass	372.019909
CLogP	3.1312
CLogS	-4.303
H Acceptors	4
H Donors	2
TotalSurfaceArea	272.81
Relative PSA	0.18353
PolarSurfaceArea	54.27
Druglikeness	0.77158
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide

Request More Details | (E)-3-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments