Molecule

ID:136974

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKey
IFTBJDZSLBRRMC-SREVYHEPSA-N
Canonic Smiles
CCCCC/C=C\CCO
Isomeric Smiles
CCCCC/C=C\CCO
Calculated Properties
JChem
Acid pKa
16.79179
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6662436
LogD (pH = 7.4)
2.6662436
Log P
2.6662436
Molar Refractivity
46.2565
Polarizability
17.702093
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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