Molecule

ID:24570

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c7-4-3-6-2-1-5-8-6/h6H,1-5,7H2
InChIKey
ZCOIVJPCZLPQPT-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCO1
Isomeric Smiles
O1C(CCN)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1691601
LogD (pH = 7.4)
-2.7016103
Log P
-0.1469101
Molar Refractivity
33.0389
Polarizability
13.269628
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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