Molecule

ID:88425

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Br₂O₂
Molecular Mass
368.02012
Exact Mass
365.8891035
Charge
0
InChI
InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
NYCBYBDDECLFPE-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1ccc(cc1)Br)c1ccc(cc1)Br
Isomeric Smiles
O=C(c1ccc(cc1)Br)C(=O)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.782232
LogD (pH = 7.4)
4.782232
Log P
4.782232
Molar Refractivity
77.3184
Polarizability
29.401342
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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