Molecule

ID:75616

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂BrNO
Molecular Mass
290.15518
Exact Mass
289.01022601
Charge
0
InChI
InChI=1S/C14H12BrNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h2-9H,1H3,(H,16,17)
InChIKey
OFBSLVLRQPIIMG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1NC(=O)c1ccccc1Br
Isomeric Smiles
N(c1c(cccc1)C)C(=O)c1c(cccc1)Br
Calculated Properties
JChem
Acid pKa
11.869904
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3473043
LogD (pH = 7.4)
4.3472905
Log P
4.347305
Molar Refractivity
74.2555
Polarizability
27.412922
Polar Surface Area
29.1
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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