Molecule

ID:120509

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2
InChIKey
RUGWIVARLJMKDM-UHFFFAOYSA-N
Canonic Smiles
O(Cc1ccco1)CC1CO1
Isomeric Smiles
O1C(C1)COCc1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7505358
LogD (pH = 7.4)
0.7505358
Log P
0.7505358
Molar Refractivity
38.7607
Polarizability
15.251115
Polar Surface Area
34.9
Rotatable Bonds
4
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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