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 : |