Molecule

ID:92118

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
InChIKey
NNVKEOMPDSKFGZ-UHFFFAOYSA-N
Canonic Smiles
COc1c(C)cc(cc1C)C
Isomeric Smiles
O(c1c(cc(cc1C)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3558388
LogD (pH = 7.4)
3.3558388
Log P
3.3558388
Molar Refractivity
47.6448
Polarizability
18.158602
Polar Surface Area
9.23
Rotatable Bonds
1
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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