Molecule

ID:103147

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N
Molecular Mass
99.17412
Exact Mass
99.10479942
Charge
0
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-N
Canonic Smiles
NC1CCCCC1
Isomeric Smiles
NC1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.57
LogD (pH = 5.5)
-1.85
Log P
1.17
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.45
Polar Surface Area
26.02
Polarizability
12.44
Molar Refractivity
30.93
LOG S
-0.97
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
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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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