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C24H20N2O3S | Cheminformatics

N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide

Molecular Formula : C24H20N2O3S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide

MolecularFormula : C24H20N2O3S

Smiles : O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c1c2OCCOc2ccc1

InChI : InChI=1S/C24H20N2O3S/c27-22(26-25-14-16-6-5-11-21-23(16)29-13-12-28-21)15-30-24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-11,14,24H,12-13,15H2,(H,26,27)

InChIK : LNNPNVLYFZCTFW-UHFFFAOYSA-N

TotalMolweight : 416.5

Molweight : 416.5

MonoisotopicMass : 416.119463

CLogP : 4.7307

CLogS : -8.12

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 311.02

Relative PSA : 0.23632

PolarSurfaceArea : 85.22

Druglikeness : -1.4

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 6

StereoCon :

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