Molecule

ID:6387

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
PSGQCCSGKGJLRL-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)cccc2
Isomeric Smiles
O=c1oc2ccccc2c(C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0827541
LogD (pH = 7.4)
2.0827541
Log P
2.0827541
Molar Refractivity
45.8306
Polarizability
17.536346
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.05
LOG S
-2.71
Solubility (Water)
3.11e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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