Molecule

ID:79609

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O
Molecular Mass
206.2393
Exact Mass
206.07316494
Charge
0
InChI
InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChIKey
HCIBTBXNLVOFER-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C1c1ccccc1)c1ccccc1
Isomeric Smiles
O=C1C(=C1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8482325
LogD (pH = 7.4)
3.8482325
Log P
3.8482325
Molar Refractivity
64.4186
Polarizability
24.739304
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation