Molecule

ID:1488

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey
PQNASZJZHFPQLE-LURJTMIESA-N
Canonic Smiles
CNCCCC[C@@H](C(=O)O)N
Isomeric Smiles
CNCCCC[C@H](N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.77
LogD (pH = 5.5)
-5.73
Log P
-2.91
Rotatable Bonds
6
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.80
Polar Surface Area
75.35
Polarizability
18.04
Molar Refractivity
42.58
LOG S
0.26
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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