Molecule

ID:136260

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₄O₂
Molecular Mass
212.6487178
Exact Mass
212.08242321
Charge
0
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-;/m0./s1/i8+1,9+1;
InChIKey
KWTQSFXGGICVPE-SXTJCFDNSA-N
Canonic Smiles
[15NH2]C(=[15NH])NCCC[C@@H](C(=O)O)N.Cl
Isomeric Smiles
C(C[C@@H](C(=O)O)N)CNC(=[15NH])[15NH2].Cl
Calculated Properties
JChem
Acid pKa
2.4118378
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-6.0672293
LogD (pH = 7.4)
-4.8457246
Log P
-3.1559374
Molar Refractivity
53.9231
Polarizability
16.904032
Polar Surface Area
125.22
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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