Molecule

ID:89943

General Information
Structure
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6+
InChIKey
IMLXLGZJLAOKJN-OLQVQODUSA-N
Canonic Smiles
N[C@@H]1CC[C@@H](CC1)O
Isomeric Smiles
O[C@@H]1CC[C@@H](CC1)N
Calculated Properties
JChem
Acid pKa
15.25663
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2356453
LogD (pH = 7.4)
-2.7809699
Log P
-0.21290687
Molar Refractivity
32.6025
Polarizability
13.196873
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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