Molecule

ID:131223

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClN₃O₂
Molecular Mass
167.5941
Exact Mass
167.04615426
Charge
0
InChI
InChI=1S/C4H9N3O2.ClH/c5-2(4(7)9)1-3(6)8;/h2H,1,5H2,(H2,6,8)(H2,7,9);1H/t2-;/m0./s1
InChIKey
SLBULRLSTNDQED-DKWTVANSSA-N
Canonic Smiles
NC(=O)C[C@@H](C(=O)N)N.Cl
Isomeric Smiles
C([C@@H](C(=O)N)N)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
15.716498
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.6663256
LogD (pH = 7.4)
-3.1125426
Log P
-2.8344085
Molar Refractivity
30.1771
Polarizability
12.142224
Polar Surface Area
112.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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