Molecule
ID:119006
General Information
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-8-3-4-10(6-11,7-12)9(2)5-8/h5,9,11-12H,3-4,6-7H2,1-2H3
InChIKey
RNHYFMJLDZPNBS-UHFFFAOYSA-N
Canonic Smiles
OCC1(CO)CCC(=CC1C)C
Isomeric Smiles
C1(C(C=C(CC1)C)C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.720818
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8613946
LogD (pH = 7.4)
0.8613946
Log P
0.8613946
Molar Refractivity
50.1263
Polarizability
19.414877
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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