furan-2-carboximidamide hydrochloride

CAS Number: 54610-69-4
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NC(c1ccco1)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H6N2O
Molecular Weight
110.116
Drug-likeness
-0.68123
CAS
54610-69-4
InChI key
BTQGDMLCRXCBGR-UHFFFAOYSA-N
SMILES
NC(c1ccco1)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 54610-69-4
Molecule Name furan-2-carboximidamide hydrochloride
Molecular Formula HCl.C5H6N2O
SMILES NC(c1ccco1)=N.Cl
InChI InChI=1S/C5H6N2O.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
InChI Key BTQGDMLCRXCBGR-UHFFFAOYSA-N
CanonicalSyTyLFy 52b166137ce8f894
TotalMolweight 146.577
Molecular Weight 110.116
MonoisotopicMass 110.048013
CLogP -0.4634
CLogS -0.567
H Acceptors 3
H Donors 2
TotalSurfaceArea 91.78
Relative PSA 0.49008
PolarSurfaceArea 63.01
Drug-likeness -0.68123
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.46471
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 5
BasicNitrogens 1

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