4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate
Molecular Formula : C21H24N4O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate is a drug-like molecule.
MolName : 4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate |
MolecularFormula : C21H24N4O3 |
Smiles : [O-]C(c1ccc(/C=N\NC(CC[NH+](CC2)CCN2c2ccccc2)=O)cc1)=O |
InChI : InChI=1S/C21H24N4O3/c26-20(23-22-16-17-6-8-18(9-7-17)21(27)28)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26)(H,27,28) |
InChIK : QQQLMTLDOCVJFI-UHFFFAOYSA-N |
TotalMolweight : 380.447 |
Molweight : 380.447 |
MonoisotopicMass : 380.184841 |
CLogP : -0.3065 |
CLogS : -3.371 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 315.97 |
Relative PSA : 0.26734 |
PolarSurfaceArea : 89.27 |
Druglikeness : 5.8352 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 6 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |