Molecule

ID:34342

General Information
Structure
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Molecular Formula
C₆H₁₃N
Molecular Mass
99.17412
Exact Mass
99.10479942
Charge
0
InChI
InChI=1S/C6H13N/c1-2-5-7-6-3-4-6/h6-7H,2-5H2,1H3
InChIKey
DAOWJXCNVJBLNI-UHFFFAOYSA-N
Canonic Smiles
CCCNC1CC1
Isomeric Smiles
C1CC1NCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0787933
LogD (pH = 7.4)
-1.602171
Log P
1.1520164
Molar Refractivity
31.1772
Polarizability
12.598926
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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