Molecule

ID:20983

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆BrNO
Molecular Mass
306.19764
Exact Mass
305.04152614
Charge
0
InChI
InChI=1S/C15H16BrNO/c16-15-13-4-2-1-3-11(13)5-6-14(15)18-12-7-9-17-10-8-12/h1-6,12,17H,7-10H2
InChIKey
GSIXHKDZQMEDES-UHFFFAOYSA-N
Canonic Smiles
Brc1c(ccc2c1cccc2)OC1CCNCC1
Isomeric Smiles
c1(c(OC2CCNCC2)ccc2c1cccc2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.010163464
LogD (pH = 7.4)
0.8544825
Log P
3.2175622
Molar Refractivity
76.7506
Polarizability
31.172962
Polar Surface Area
21.26
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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