Molecule

ID:90767

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-4(6)5(2,3)7/h4,7H,6H2,1-3H3/t4-/m1/s1
InChIKey
OVKDLPZRDQTOJW-SCSAIBSYSA-N
Canonic Smiles
C[C@H](C(O)(C)C)N
Isomeric Smiles
N[C@@H](C(O)(C)C)C
Calculated Properties
JChem
Acid pKa
14.737755
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2166698
LogD (pH = 7.4)
-2.5910633
Log P
-0.20183416
Molar Refractivity
29.6869
Polarizability
12.084012
Polar Surface Area
46.25
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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