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C20H17N2O6F | Cheminformatics
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[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

Molecular Formula : C20H17N2O6F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName : [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

MolecularFormula : C20H17N2O6F

Smiles : O=C(COC(/C=C/c(cccc1)c1F)=O)NC(Nc(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C20H17FN2O6/c21-15-4-2-1-3-13(15)5-8-19(25)29-12-18(24)23-20(26)22-14-6-7-16-17(11-14)28-10-9-27-16/h1-8,11H,9-10,12H2,(H2,22,23,24,26)

InChIK : XPVPWBIKNPCYIY-UHFFFAOYSA-N

TotalMolweight : 400.361

Molweight : 400.361

MonoisotopicMass : 400.107066

CLogP : 2.5595

CLogS : -4.358

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 299.82

Relative PSA : 0.30698

PolarSurfaceArea : 102.96

Druglikeness : -7.3821

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Amides : 2

StereoCon :

Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
2 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
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