Molecule

ID:80918

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O
Molecular Mass
194.2286
Exact Mass
194.07316494
Charge
0
InChI
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChIKey
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2Cc2c1cccc2
Isomeric Smiles
O=C1c2c(cccc2)Cc2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
3.55
LogD (pH = 5.5)
3.55
Log P
3.55
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.48
Polar Surface Area
17.07
Polarizability
21.38
Molar Refractivity
60.31
LOG S
-4.08
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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