Molecule

ID:110518

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
Canonic Smiles
CCCCNC
Isomeric Smiles
CCCCNC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.76
LogD (pH = 5.5)
-2.10
Log P
1.13
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.55
Polar Surface Area
12.03
Polarizability
11.73
Molar Refractivity
28.57
LOG S
-0.17
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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