(+/-)-Methionine

CAS Number: 59-51-8
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CSCCC(C(O)=O)N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H11NO2S
Molecular Weight
149.213
Drug-likeness
-13.321
CAS
59-51-8
InChI key
FFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
CSCCC(C(O)=O)N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 59-51-8
Molecule Name (+/-)-Methionine
Molecular Formula C5H11NO2S
SMILES CSCCC(C(O)=O)N
InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key FFEARJCKVFRZRR-BYPYZUCNSA-N
CanonicalSyTyLFy 46b2d41fc2397378
TotalMolweight 149.213
Molecular Weight 149.213
MonoisotopicMass 149.051049
CLogP -2.3875
CLogS -1.051
H Acceptors 3
H Donors 2
TotalSurfaceArea 115.89
Relative PSA 0.50824
PolarSurfaceArea 88.62
Drug-likeness -13.321
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.76248
Molecular Complexity 0.57565
Fragments 1
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 4
Sp3Atoms 7
Amines 1
AlkylAmines 1
BasicNitrogens 1
AcidicOxygens 1
StereoCon racemate

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