Molecule

ID:79710

General Information
Structure
Molecular Formula
C₁₇H₁₀O
Molecular Mass
230.2607
Exact Mass
230.07316494
Charge
0
InChI
InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
InChIKey
RCYFOPUXRMOLQM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
O=Cc1ccc2ccc3c4c2c1ccc4ccc3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.99643
LogD (pH = 7.4)
3.99643
Log P
3.99643
Molar Refractivity
73.3066
Polarizability
31.712961
Polar Surface Area
17.07
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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