Molecule

ID:704

General Information
Structure
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Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
NOOLISFMXDJSKH-KXUCPTDWSA-N
Canonic Smiles
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C
Isomeric Smiles
O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.66
LogD (pH = 5.5)
2.66
Log P
2.66
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-0.81
Polar Surface Area
20.23
Polarizability
19.64
Molar Refractivity
47.45
LOG S
-2.84
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
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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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