Molecule

ID:89736

General Information
Structure
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Molecular Formula
C₆H₁₅N
Molecular Mass
101.19
Exact Mass
101.12044949
Charge
0
InChI
InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
InChIKey
BMVXCPBXGZKUPN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCN
Isomeric Smiles
NCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.02
LogD (pH = 5.5)
-1.44
Log P
1.59
Rotatable Bonds
4
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
26.02
Polarizability
13.73
Molar Refractivity
32.99
LOG S
-1.40
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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