Molecule

ID:32229

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂BrNO₂
Molecular Mass
306.15458
Exact Mass
305.00514063
Charge
0
InChI
InChI=1S/C14H12BrNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKey
FSZPGUBKBFDUMK-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccc(Oc2ccccc2)cc1)CBr
Calculated Properties
JChem
Acid pKa
14.047443
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4340825
LogD (pH = 7.4)
3.4340823
Log P
3.4340825
Molar Refractivity
74.8985
Polarizability
28.192162
Polar Surface Area
38.33
Rotatable Bonds
4
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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