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C24H18N2O3 | Cheminformatics
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(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylphenyl)prop-2-enamide

Molecular Formula : C24H18N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylphenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylphenyl)prop-2-enamide

MolecularFormula : C24H18N2O3

Smiles : N#C/C(/C(Nc(cc1)cc2c1OCCO2)=O)=C\c(cc1)ccc1-c1ccccc1

InChI : InChI=1S/C24H18N2O3/c25-16-20(14-17-6-8-19(9-7-17)18-4-2-1-3-5-18)24(27)26-21-10-11-22-23(15-21)29-13-12-28-22/h1-11,14-15H,12-13H2,(H,26,27)

InChIK : GIGSMBDCQHIWDC-UHFFFAOYSA-N

TotalMolweight : 382.418

Molweight : 382.418

MonoisotopicMass : 382.131743

CLogP : 4.6263

CLogS : -6.038

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 302.43

Relative PSA : 0.19198

PolarSurfaceArea : 71.35

Druglikeness : -8.8636

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.62069

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 4

Symmetricatoms : 4

Amides : 1

StereoCon :

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1 - (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylphenyl)prop-2-enamide
2 - (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylphenyl)prop-2-enamide
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