Molecule

ID:126612

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
WNVCMFHPRIBNCW-YUMQZZPRSA-N
Canonic Smiles
C[C@H]1CC(=O)O[C@H]1CCCC
Isomeric Smiles
CCCC[C@@H]1OC(=O)C[C@@H]1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.342759
LogD (pH = 7.4)
2.342759
Log P
2.342759
Molar Refractivity
42.9245
Polarizability
17.343075
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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