Molecule

ID:125433

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₂
Molecular Mass
152.19038
Exact Mass
152.08372962
Charge
0
InChI
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChIKey
CHWNEIVBYREQRF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)OC)O
Isomeric Smiles
Oc1ccc(cc1OC)CC
Calculated Properties
JChem
Acid pKa
10.300266
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4699924
LogD (pH = 7.4)
2.4694567
Log P
2.4699993
Molar Refractivity
44.1443
Polarizability
17.053726
Polar Surface Area
29.46
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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