Molecule

ID:88698

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
InChIKey
JTXZPQIXIXYMDY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCc1ccccc1
Isomeric Smiles
O=C(CCCCCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.9008164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.693108
LogD (pH = 7.4)
0.92743665
Log P
3.3892689
Molar Refractivity
55.7696
Polarizability
21.809696
Polar Surface Area
37.3
Rotatable Bonds
6
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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