Molecule

ID:14860

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO
Molecular Mass
139.19492
Exact Mass
139.09971404
Charge
0
InChI
InChI=1S/C8H13NO/c1-9-6-2-4-8-5-3-7-10-8/h3,5,7,9H,2,4,6H2,1H3
InChIKey
GKIUEIPANNQGFU-UHFFFAOYSA-N
Canonic Smiles
CNCCCc1ccco1
Isomeric Smiles
c1(ccco1)CCCNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0551074
LogD (pH = 7.4)
-1.43862
Log P
1.1691637
Molar Refractivity
41.2069
Polarizability
16.006855
Polar Surface Area
25.17
Rotatable Bonds
4
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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