Molecule

ID:75633

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂BrNO₂
Molecular Mass
270.12248
Exact Mass
269.00514063
Charge
0
InChI
InChI=1S/C11H12BrNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKey
FTAGZJAFWFNHAP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Br)N1CCOCC1
Isomeric Smiles
N1(C(=O)c2ccc(cc2)Br)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.82149
LogD (pH = 7.4)
1.8214904
Log P
1.8214904
Molar Refractivity
61.6271
Polarizability
23.351772
Polar Surface Area
29.54
Rotatable Bonds
1
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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