Molecule

ID:58775

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O
Molecular Mass
258.31386
Exact Mass
258.10446507
Charge
0
InChI
InChI=1S/C19H14O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10H2
InChIKey
YQRRSORFUCNQAC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c3c1cccc3CC2)c1ccccc1
Isomeric Smiles
c1cc2c3c(c1)c(ccc3CC2)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9851923
LogD (pH = 7.4)
4.9851923
Log P
4.9851923
Molar Refractivity
81.3639
Polarizability
32.42928
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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