Molecule

ID:80062

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅BrO
Molecular Mass
387.2686
Exact Mass
386.0306271
Charge
0
InChI
InChI=1S/C23H15BrO/c24-19-9-5-8-18(15-19)23(25)13-12-22-20-10-3-1-6-16(20)14-17-7-2-4-11-21(17)22/h1-15H
InChIKey
OOYGRLHZCLKWNG-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)/C=C/c1c2ccccc2cc2c1cccc2
Isomeric Smiles
O=C(c1cc(ccc1)Br)/C=C/c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
Acid pKa
16.324577
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.6380315
LogD (pH = 7.4)
6.6380315
Log P
6.6380315
Molar Refractivity
107.4002
Polarizability
43.012413
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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