Molecule

ID:106959

General Information
Structure
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Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3
InChIKey
GELMWIVBBPAMIO-UHFFFAOYSA-N
Canonic Smiles
CCC(N)(C)C
Isomeric Smiles
CCC(C)(C)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.89
LogD (pH = 5.5)
-2.08
Log P
0.95
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.67
Polar Surface Area
26.02
Polarizability
11.24
Molar Refractivity
28.25
LOG S
-0.35
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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