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MolName : 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one

MolecularFormula : C27H23NO5

Smiles : OC(CC(c(cc1)cc2c1OCCO2)=O)(c(cccc1)c1N1C/C=C/c2ccccc2)C1=O

InChI : InChI=1S/C27H23NO5/c29-23(20-12-13-24-25(17-20)33-16-15-32-24)18-27(31)21-10-4-5-11-22(21)28(26(27)30)14-6-9-19-7-2-1-3-8-19/h1-13,17,31H,14-16,18H2/t27-/m0/s1

InChIK : OBHJEDBQJGLGRI-MHZLTWQESA-N

TotalMolweight : 441.482

Molweight : 441.482

MonoisotopicMass : 441.157624

CLogP : 3.9599

CLogS : -5.457

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 329.88

Relative PSA : 0.19016

PolarSurfaceArea : 76.07

Druglikeness : -2.2385

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

StereoCon : racemate