Molecule

ID:136278

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂
Molecular Mass
147.1809689
Exact Mass
147.10256259
Charge
0
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i8+1
InChIKey
KDXKERNSBIXSRK-DCNWSHSXSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)O)[15NH2]
Isomeric Smiles
C(CCN)C[C@@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
2.7382863
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.9555907
LogD (pH = 7.4)
-4.978252
Log P
-3.2145348
Molar Refractivity
37.8095
Polarizability
15.365045
Polar Surface Area
89.34
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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