2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate

Formula:C17H10NO3BrF Mutagenic:none Tumorigenic:low Reproductive Effective:high 2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate
MolecularFormula	C17H10NO3BrF
Smiles	N#C/C(/c(cc1)ccc1F)=C\c(cc1)cc(Br)c1OCC([O-])=O
InChI	InChI=1S/C17H11BrFNO3/c18-15-8-11(1-6-16(15)23-10-17(21)22)7-13(9-20)12-2-4-14(19)5-3-12/h1-8H,10H2,(H,21,22)/p-1
InChIK	DTVYQMKETQPCHJ-UHFFFAOYSA-M
TotalMolweight	375.172
Molweight	375.172
MonoisotopicMass	373.982808
CLogP	1.1426
CLogS	-4.57
H Acceptors	4
TotalSurfaceArea	253.46
Relative PSA	0.20074
PolarSurfaceArea	73.15
Druglikeness	-7.6199
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate | 2 - 2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate

Request More Details | 2-[2-bromo-4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments