Molecule

ID:103894

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3
InChIKey
NHMKYUHMPXBMFI-UHFFFAOYSA-N
Canonic Smiles
C=CC(=C)CC(C=C(C)C)O
Isomeric Smiles
CC(=CC(O)CC(=C)C=C)C
Calculated Properties
JChem
Acid pKa
18.33107
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.306289
LogD (pH = 7.4)
2.306289
Log P
2.306289
Molar Refractivity
49.8945
Polarizability
19.08192
Polar Surface Area
20.23
Rotatable Bonds
4
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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