Molecule

ID:133256

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClN₃O₂
Molecular Mass
183.63656
Exact Mass
183.07745438
Charge
0
InChI
InChI=1S/C5H13N3O2.ClH/c6-3-1-2-4(8-7)5(9)10;/h4,8H,1-3,6-7H2,(H,9,10);1H/t4-;/m0./s1
InChIKey
YGFMLJZTTRLMIA-WCCKRBBISA-N
Canonic Smiles
NCCC[C@@H](C(=O)O)NN.Cl
Isomeric Smiles
C(C[C@@H](C(=O)O)NN)CN.Cl
Calculated Properties
JChem
Acid pKa
4.4275575
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.0512896
LogD (pH = 7.4)
-3.612097
Log P
-3.607115
Molar Refractivity
48.1854
Polarizability
14.872951
Polar Surface Area
101.37
Rotatable Bonds
5
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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