N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Molecular Formula : C20H25N4O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.
MolName : N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
MolecularFormula : C20H25N4O |
Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccccc1 |
InChI : InChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25)/p+1 |
InChIK : CFRAUGGPFNAJNQ-UHFFFAOYSA-O |
TotalMolweight : 337.446 |
Molweight : 337.446 |
MonoisotopicMass : 337.202836 |
CLogP : 0.9696 |
CLogS : -3.358 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 290.69 |
Relative PSA : 0.1966 |
PolarSurfaceArea : 49.14 |
Druglikeness : 5.8039 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.72 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
StereoCon : |