(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine
Molecular Formula : C23H23N4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine |
MolecularFormula : C23H23N4 |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1ncccc1 |
InChI : InChI=1S/C23H22N4/c1-3-10-21-19(8-1)20-9-2-4-11-22(20)23(21)26-13-15-27(16-14-26)25-17-18-7-5-6-12-24-18/h1-12,17,23H,13-16H2/p+1 |
InChIK : HWPVZTDNLUJHLN-UHFFFAOYSA-O |
TotalMolweight : 355.464 |
Molweight : 355.464 |
MonoisotopicMass : 355.192271 |
CLogP : 1.8522 |
CLogS : -4.145 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 291.48 |
Relative PSA : 0.14965 |
PolarSurfaceArea : 32.93 |
Druglikeness : 4.0084 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.55556 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |