(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Molecular Formula : C26H26N3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
MolName : (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
MolecularFormula : C26H26N3 |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\C=C\c1ccccc1 |
InChI : InChI=1S/C26H25N3/c1-2-9-21(10-3-1)11-8-16-27-29-19-17-28(18-20-29)26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-16,26H,17-20H2/p+1 |
InChIK : YAGKEZIKQLVODH-UHFFFAOYSA-O |
TotalMolweight : 380.513 |
Molweight : 380.513 |
MonoisotopicMass : 380.212672 |
CLogP : 2.8174 |
CLogS : -5.208 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 319.22 |
Relative PSA : 0.10228 |
PolarSurfaceArea : 20.04 |
Druglikeness : 3.9646 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.58621 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 10 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |