4-[(4-Phenoxyfuran-2-yl)methyl]morpholine--hydrogen chloride (1/1)

CAS Number: 101833-07-2
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C(c1cc(Oc2ccccc2)co1)N1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C15H17NO3
Molecular Weight
259.304
Drug-likeness
1.4498
CAS
101833-07-2
InChI key
WLTJIMBAQNMADY-UHFFFAOYSA-N
SMILES
C(c1cc(Oc2ccccc2)co1)N1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 101833-07-2
Molecule Name 4-[(4-Phenoxyfuran-2-yl)methyl]morpholine--hydrogen chloride (1/1)
Molecular Formula HCl.C15H17NO3
SMILES C(c1cc(Oc2ccccc2)co1)N1CCOCC1.Cl
InChI InChI=1S/C15H17NO3.ClH/c1-2-4-13(5-3-1)19-15-10-14(18-12-15)11-16-6-8-17-9-7-16;/h1-5,10,12H,6-9,11H2;1H
InChI Key WLTJIMBAQNMADY-UHFFFAOYSA-N
CanonicalSyTyLFy 626b0ca4804968e9
TotalMolweight 295.765
Molecular Weight 259.304
MonoisotopicMass 259.120844
CLogP 1.8358
CLogS -3.176
H Acceptors 4
TotalSurfaceArea 208.31
Relative PSA 0.18079
PolarSurfaceArea 34.84
Drug-likeness 1.4498
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.68421
Molecula Flexibility 0.50925
Molecular Complexity 0.66888
Fragments 2
Non HAtoms 19
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 4
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 11
Sp3Atoms 8
Symmetricatoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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