MolName : (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-imine |
MolecularFormula : C24H24N3O |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\C=C\c1ccco1 |
InChI : InChI=1S/C24H23N3O/c1-3-11-22-20(9-1)21-10-2-4-12-23(21)24(22)26-14-16-27(17-15-26)25-13-5-7-19-8-6-18-28-19/h1-13,18,24H,14-17H2/p+1 |
InChIK : JAZXDODTSZKGSQ-UHFFFAOYSA-O |
TotalMolweight : 370.475 |
Molweight : 370.475 |
MonoisotopicMass : 370.191937 |
CLogP : 2.0061 |
CLogS : -4.89 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 308.91 |
Relative PSA : 0.15137 |
PolarSurfaceArea : 33.18 |
Druglikeness : 3.6185 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 7 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |