[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate

Formula:C25H21O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate
MolecularFormula	C25H21O5F
Smiles	Cc(cc1)cc(C(/C=C/c(cc2)cc(OC)c2OC)=O)c1OC(c(cc1)ccc1F)=O
InChI	InChI=1S/C25H21FO5/c1-16-4-12-22(31-25(28)18-7-9-19(26)10-8-18)20(14-16)21(27)11-5-17-6-13-23(29-2)24(15-17)30-3/h4-15H,1-3H3
InChIK	ZKDWJIORYLRYIO-UHFFFAOYSA-N
TotalMolweight	420.435
Molweight	420.435
MonoisotopicMass	420.137303
CLogP	5.039
CLogS	-6.004
H Acceptors	5
TotalSurfaceArea	327.91
Relative PSA	0.17102
PolarSurfaceArea	61.83
Druglikeness	-1.1275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate | 2 - [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate

Request More Details | [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-fluorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments