2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate

Formula:C19H15N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate
MolecularFormula	C19H15N2O4
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1)ccc1OCC([O-])=O
InChI	InChI=1S/C19H16N2O4/c20-11-16(19(24)21-12-15-4-2-1-3-5-15)10-14-6-8-17(9-7-14)25-13-18(22)23/h1-10H,12-13H2,(H,21,24)(H,22,23)/p-1
InChIK	FOGUZHURLBRQHK-UHFFFAOYSA-M
TotalMolweight	335.338
Molweight	335.338
MonoisotopicMass	335.103183
CLogP	-0.3183
CLogS	-3.379
H Acceptors	6
H Donors	1
TotalSurfaceArea	271.45
Relative PSA	0.27769
PolarSurfaceArea	102.25
Druglikeness	-1.1612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate | 2 - 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate

Request More Details | 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments