Molecule

ID:91025

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
InChIKey
JULZQKLZSNOEEJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(C)C
Isomeric Smiles
O(c1ccc(cc1)C(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0605836
LogD (pH = 7.4)
3.0605836
Log P
3.0605836
Molar Refractivity
46.712
Polarizability
18.315336
Polar Surface Area
9.23
Rotatable Bonds
2
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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