Molecule

ID:69682

General Information
Structure
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKey
VCOJPHPOVDIRJK-ZCFIWIBFSA-N
Canonic Smiles
OC[C@H]1CCCN1C
Isomeric Smiles
C([C@@H]1N(CCC1)C)O
Calculated Properties
JChem
Acid pKa
15.113259
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4511359
LogD (pH = 7.4)
-2.2805235
Log P
-0.03436801
Molar Refractivity
33.4916
Polarizability
13.196873
Polar Surface Area
23.47
Rotatable Bonds
1
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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