Potassium bis(4-methylphenyl)methanide

CAS Number: 61582-88-5
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Cc1ccc([CH-]c2ccc(C)cc2)cc1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C15H15
Molecular Weight
195.284
Drug-likeness
-2.4599
CAS
61582-88-5
InChI key
HVMLLAAJUQTHLW-UHFFFAOYSA-N
SMILES
Cc1ccc([CH-]c2ccc(C)cc2)cc1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 61582-88-5
Molecule Name Potassium bis(4-methylphenyl)methanide
Molecular Formula K.C15H15
SMILES Cc1ccc([CH-]c2ccc(C)cc2)cc1.[K+]
InChI InChI=1S/C15H15.K/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;/h3-11H,1-2H3;/q-1;+1
InChI Key HVMLLAAJUQTHLW-UHFFFAOYSA-N
CanonicalSyTyLFy a49147dbb23fdd82
TotalMolweight 234.382
Molecular Weight 195.284
MonoisotopicMass 195.117375
CLogP 3.6726
CLogS -4.015
TotalSurfaceArea 157.54
Drug-likeness -2.4599
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.73333
Molecula Flexibility 0.42465
Molecular Complexity 0.52698
Fragments 2
Non HAtoms 15
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 9

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