Molecule

ID:73278

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4-,5?,6?,7-,8+
InChIKey
FIMXSEMBHGTNKT-ZZLPOOPCSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H](C1)N2C)O3
Isomeric Smiles
[C@@H]12[C@@H]3[C@H]([C@@H](N1C)C[C@@H](C2)O)O3
Calculated Properties
JChem
Acid pKa
15.15097
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.314462
LogD (pH = 7.4)
-0.84330773
Log P
-0.64272803
Molar Refractivity
39.4987
Polarizability
16.13768
Polar Surface Area
36.0
Rotatable Bonds
0
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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