Molecule

ID:17256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c11-9(12)7-5-6-1-2-8(7)10(6)3-4-10/h1-2,6-8H,3-5H2,(H,11,12)
InChIKey
GUQRBBFSKQZSRM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC2C3(C1C=C2)CC3
Isomeric Smiles
C12(C3C(CC1C=C3)C(=O)O)CC2
Calculated Properties
JChem
Acid pKa
4.5225453
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29758948
LogD (pH = 7.4)
-1.4733428
Log P
1.3173188
Molar Refractivity
44.878
Polarizability
17.241571
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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