Ethanol, 2-anilino-, hydriodide

CAS Number: 73927-23-8
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OCCNc1ccccc1.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HI.C8H11NO
Molecular Weight
137.181
Drug-likeness
-0.14514
CAS
73927-23-8
InChI key
PUEZMPAMLKWYOS-UHFFFAOYSA-N
SMILES
OCCNc1ccccc1.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 73927-23-8
Molecule Name Ethanol, 2-anilino-, hydriodide
Molecular Formula HI.C8H11NO
SMILES OCCNc1ccccc1.I
InChI InChI=1S/C8H11NO.HI/c10-7-6-9-8-4-2-1-3-5-8;/h1-5,9-10H,6-7H2;1H
InChI Key PUEZMPAMLKWYOS-UHFFFAOYSA-N
CanonicalSyTyLFy 535f4f0134c5608c
TotalMolweight 265.089
Molecular Weight 137.181
MonoisotopicMass 137.084064
CLogP 0.7862
CLogS -1.469
H Acceptors 2
H Donors 2
TotalSurfaceArea 118.59
Relative PSA 0.2071
PolarSurfaceArea 32.26
Drug-likeness -0.14514
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.8
Molecula Flexibility 0.59858
Molecular Complexity 0.49698
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 2
Amines 1
Aromatic Amines 1

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