1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine

Formula:C22H22N10 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine is a drug-like molecule.

MolName1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
MolecularFormulaC22H22N10
SmilesC(CN(CC1)/C=C/c2nnnn2-c2ccccc2)N1/C=C/c1nnnn1-c1ccccc1
InChIInChI=1S/C22H22N10/c1-3-7-19(8-4-1)31-21(23-25-27-31)11-13-29-15-17-30(18-16-29)14-12-22-24-26-28-32(22)20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKBNIJXCOMIQHHNQ-UHFFFAOYSA-N
TotalMolweight426.487
Molweight426.487
MonoisotopicMass426.20289
CLogP0.9804
CLogS-2.586
H Acceptors10
TotalSurfaceArea338.64
Relative PSA0.25591
PolarSurfaceArea93.68
Druglikeness4.3689
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms6
Symmetricatoms19
Aromatic Nitrogens8
StereoCon

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