[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C17H21NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C17H21NO4
Smiles	O=C(COC(/C=C/c1ccco1)=O)NCCC1=CCCCC1
InChI	InChI=1S/C17H21NO4/c19-16(18-11-10-14-5-2-1-3-6-14)13-22-17(20)9-8-15-7-4-12-21-15/h4-5,7-9,12H,1-3,6,10-11,13H2,(H,18,19)
InChIK	IIUKKHVLRVSNDR-UHFFFAOYSA-N
TotalMolweight	303.357
Molweight	303.357
MonoisotopicMass	303.147059
CLogP	2.2745
CLogS	-3.208
H Acceptors	5
H Donors	1
TotalSurfaceArea	253.94
Relative PSA	0.24277
PolarSurfaceArea	68.54
Druglikeness	-4.9959
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Amides	1
StereoCon

Click to Load Molecule:

1 - [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Request More Details | [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments