3-Hydroxypropyl--mercury (1/1)

CAS Number: 21467-84-5
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CCCO.[Hg]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Hg.C3H7O
Molecular Weight
59.0876
Drug-likeness
-2.5387
CAS
21467-84-5
InChI key
HTYLCXTZLTVRET-UHFFFAOYSA-N
SMILES
CCCO.[Hg]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 21467-84-5
Molecule Name 3-Hydroxypropyl--mercury (1/1)
Molecular Formula Hg.C3H7O
SMILES CCCO.[Hg]
InChI InChI=1S/C3H7O.Hg/c1-2-3-4;/h4H,1-3H2;
InChI Key HTYLCXTZLTVRET-UHFFFAOYSA-N
CanonicalSyTyLFy 935b0296ea23d016
TotalMolweight 259.678
Molecular Weight 59.0876
MonoisotopicMass 59.04969
CLogP 0.5049
CLogS -0.747
H Acceptors 1
H Donors 1
TotalSurfaceArea 54.38
Relative PSA 0.2409
PolarSurfaceArea 20.23
Drug-likeness -2.5387
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71082
Fragments 2
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Sp3Atoms 4

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