Molecule

ID:34808

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂O₂
Molecular Mass
287.153
Exact Mass
286.03168973
Charge
0
InChI
InChI=1S/C11H15BrN2O2/c1-2-3-10(11(15)14-13)16-9-6-4-8(12)5-7-9/h4-7,10H,2-3,13H2,1H3,(H,14,15)
InChIKey
OCXWFKWBMAXHQR-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)NN)Oc1ccc(cc1)Br
Isomeric Smiles
C(=O)(C(Oc1ccc(Br)cc1)CCC)NN
Calculated Properties
JChem
Acid pKa
11.534004
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4933507
LogD (pH = 7.4)
2.494701
Log P
2.4947474
Molar Refractivity
66.1538
Polarizability
25.672016
Polar Surface Area
64.35
Rotatable Bonds
5
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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