Molecule

ID:103020

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
InChIKey
RUVINXPYWBROJD-UHFFFAOYSA-N
Canonic Smiles
CC=Cc1ccc(cc1)OC
Isomeric Smiles
COc1ccc(/C=C/C)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.94
LogD (pH = 5.5)
2.94
Log P
2.94
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.82
Polar Surface Area
9.23
Polarizability
17.46
Molar Refractivity
47.88
LOG S
-2.85
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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