Zinc, iodo(3-methoxyphenyl)-

CAS Number: 300825-30-3
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COc1ccc[c-]c1.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C7H7O
Molecular Weight
107.132
Drug-likeness
-2.0846
CAS
300825-30-3
InChI key
GZPQUUMHBPXZTL-UHFFFAOYSA-M
SMILES
COc1ccc[c-]c1.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 300825-30-3
Molecule Name Zinc, iodo(3-methoxyphenyl)-
Molecular Formula IZn.C7H7O
SMILES COc1ccc[c-]c1.[Zn+]I
InChI InChI=1S/C7H7O.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q-1;;+2/p-1
InChI Key GZPQUUMHBPXZTL-UHFFFAOYSA-M
CanonicalSyTyLFy f2215cbce6b2120
TotalMolweight 299.422
Molecular Weight 107.132
MonoisotopicMass 107.04969
CLogP 1.313
CLogS -1.634
H Acceptors 1
TotalSurfaceArea 88.4
Relative PSA 0.11312
PolarSurfaceArea 9.23
Drug-likeness -2.0846
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.31144
Molecular Complexity 0.64124
Fragments 2
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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