Molecule

ID:2634

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey
CCEFMUBVSUDRLG-KXUCPTDWSA-N
Canonic Smiles
CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C
Isomeric Smiles
CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
Calculated Properties
JChem
LogD (pH = 7.4)
2.32
LogD (pH = 5.5)
2.32
Log P
2.32
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.22
Polar Surface Area
12.53
Polarizability
17.85
Molar Refractivity
45.24
LOG S
-2.08
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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