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C19H22N3PS | Cheminformatics

(3Z)-3-(diphenylphosphinothioylhydrazinylidene)-1-azabicyclo[2.2.2]octane

Molecular Formula : C19H22N3PS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |

MolName : (3Z)-3-(diphenylphosphinothioylhydrazinylidene)-1-azabicyclo[2.2.2]octane

MolecularFormula : C19H22N3PS

Smiles : S=P(c1ccccc1)(c1ccccc1)N/N=C1/C(CC2)CCN2C1

InChI : InChI=1S/C19H22N3PS/c24-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)21-20-19-15-22-13-11-16(19)12-14-22/h1-10,16H,11-15H2,(H,21,24)

InChIK : FRYOOCQRHROYEC-UHFFFAOYSA-N

TotalMolweight : 355.445

Molweight : 355.445

MonoisotopicMass : 355.127204

CLogP : 4.133

CLogS : -4.119

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 270.78

Relative PSA : 0.21604

PolarSurfaceArea : 69.53

Druglikeness : -7.355

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : low

Nasty Functions :

Shape Index : 0.45833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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