Molecule

ID:2949

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂
Molecular Mass
146.18756
Exact Mass
146.1055277
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-/m1/s1
InChIKey
KDXKERNSBIXSRK-RXMQYKEDSA-N
Canonic Smiles
NCCCC[C@H](C(=O)O)N
Isomeric Smiles
NCCCC[C@@H](N)C(=O)O
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
ALOGPS 2.1
Log P
-3.76
LOG S
-0.14
Solubility (Water)
1.05e+02 g/l
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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