(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
Molecular Formula : C22H22N3S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine |
MolecularFormula : C22H22N3S |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccs1 |
InChI : InChI=1S/C22H21N3S/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/p+1 |
InChIK : JMGACQFWLUTIBU-UHFFFAOYSA-O |
TotalMolweight : 360.504 |
Molweight : 360.504 |
MonoisotopicMass : 360.153442 |
CLogP : 2.6657 |
CLogS : -4.926 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 288.66 |
Relative PSA : 0.18364 |
PolarSurfaceArea : 48.28 |
Druglikeness : 5.5424 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 7 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |