Molecule

ID:75191

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2
InChIKey
NGYYFWGABVVEPL-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(O)cc(c1)O
Isomeric Smiles
Oc1cc(cc(c1)O)CO
Calculated Properties
JChem
Acid pKa
9.105787
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.59865844
LogD (pH = 7.4)
0.59034544
Log P
0.59876543
Molar Refractivity
36.8357
Polarizability
14.016283
Polar Surface Area
60.69
Rotatable Bonds
1
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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