(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C15H14N2O2ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C15H14N2O2ClF
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C15H14ClFN2O2/c16-13-4-1-5-14(17)12(13)7-10(8-18)15(20)19-9-11-3-2-6-21-11/h1,4-5,7,11H,2-3,6,9H2,(H,19,20)/t11-/m1/s1
InChIK	YJYFVEDGIBIXDE-LLVKDONJSA-N
TotalMolweight	308.739
Molweight	308.739
MonoisotopicMass	308.072783
CLogP	2.2862
CLogS	-3.998
H Acceptors	4
H Donors	1
TotalSurfaceArea	234.7
Relative PSA	0.20477
PolarSurfaceArea	62.12
Druglikeness	-3.8487
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Request More Details | (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments