Molecule

ID:103091

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChIKey
DSSYKIVIOFKYAU-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2C(C1(C)CC2)(C)C
Isomeric Smiles
CC1(C)C2CCC1(C)C(=O)C2
Calculated Properties
JChem
LogD (pH = 7.4)
2.55
LogD (pH = 5.5)
2.55
Log P
2.55
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.49
Polar Surface Area
17.07
Polarizability
17.73
Molar Refractivity
44.49
LOG S
-1.95
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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