2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate

Formula:C19H20N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate is a drug-like molecule.

MolName2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate
MolecularFormulaC19H20N3O3
Smiles[O-]C(COc1c(/C=N\N(CC2)CCN2c2ccccc2)cccc1)=O
InChIInChI=1S/C19H21N3O3/c23-19(24)15-25-18-9-5-4-6-16(18)14-20-22-12-10-21(11-13-22)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2,(H,23,24)/p-1
InChIKVIMBCXLYHLIYQE-UHFFFAOYSA-M
TotalMolweight338.386
Molweight338.386
MonoisotopicMass338.150467
CLogP0.0801
CLogS-2.971
H Acceptors6
TotalSurfaceArea268.96
Relative PSA0.20795
PolarSurfaceArea68.2
Druglikeness6.038
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amines1
Aromatic Amines1
AcidicOxygens1
StereoCon

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