D-Arginine, hydrochloride (1:1)

CAS Number: 627-75-8
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N[C@H](CCCNC(N)=N)C(O)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H14N4O2
Molecular Weight
174.203
Drug-likeness
-10.428
CAS
627-75-8
InChI key
KWTQSFXGGICVPE-PGMHMLKASA-N
SMILES
N[C@H](CCCNC(N)=N)C(O)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 627-75-8
Molecule Name D-Arginine, hydrochloride (1:1)
Molecular Formula HCl.C6H14N4O2
SMILES N[C@H](CCCNC(N)=N)C(O)=O.Cl
InChI InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1
InChI Key KWTQSFXGGICVPE-PGMHMLKASA-N
CanonicalSyTyLFy 6cad25851e0f811c
TotalMolweight 210.664
Molecular Weight 174.203
MonoisotopicMass 174.111676
CLogP -3.4377
CLogS -0.156
H Acceptors 6
H Donors 5
TotalSurfaceArea 140.19
Relative PSA 0.59733
PolarSurfaceArea 125.22
Drug-likeness -10.428
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.73332
Molecular Complexity 0.51299
Fragments 2
Non HAtoms 12
NonCHAtoms 6
Electronegative Atoms 6
StereoCenters 1
Rotatable Bond 5
Sp3Atoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 2
AcidicOxygens 1
StereoCon this enantiomer

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