Potassium 1,3-diphenylprop-2-en-1-ide

CAS Number: 37837-37-9
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[CH-](C=Cc1ccccc1)c1ccccc1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C15H13
Molecular Weight
193.268
Drug-likeness
-1.82
CAS
37837-37-9
InChI key
JLYDTVCOPGZRER-UHFFFAOYSA-N
SMILES
[CH-](C=Cc1ccccc1)c1ccccc1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 37837-37-9
Molecule Name Potassium 1,3-diphenylprop-2-en-1-ide
Molecular Formula K.C15H13
SMILES [CH-](C=Cc1ccccc1)c1ccccc1.[K+]
InChI InChI=1S/C15H13.K/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-13H;/q-1;+1
InChI Key JLYDTVCOPGZRER-UHFFFAOYSA-N
CanonicalSyTyLFy b84d636ae4011b03
TotalMolweight 232.366
Molecular Weight 193.268
MonoisotopicMass 193.101725
CLogP 3.754
CLogS -3.659
TotalSurfaceArea 159.52
Drug-likeness -1.82
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.73333
Molecula Flexibility 0.41127
Molecular Complexity 0.47603
Fragments 2
Non HAtoms 15
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 1
Symmetricatoms 4

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