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C16H13N2O3F | Cheminformatics

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-fluorobenzamide

Molecular Formula : C16H13N2O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-fluorobenzamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-fluorobenzamide

MolecularFormula : C16H13N2O3F

Smiles : O=C(c(cc1)ccc1F)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C16H13FN2O3/c17-13-4-2-12(3-5-13)16(20)19-18-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)

InChIK : BDFDMIJXVNXBCI-UHFFFAOYSA-N

TotalMolweight : 300.288

Molweight : 300.288

MonoisotopicMass : 300.091021

CLogP : 3.2812

CLogS : -4.217

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 227.36

Relative PSA : 0.24635

PolarSurfaceArea : 59.92

Druglikeness : -4.1995

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

StereoCon :

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