Molecule

ID:84583

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈BrNO
Molecular Mass
296.20282
Exact Mass
295.0571762
Charge
0
InChI
InChI=1S/C14H18BrNO/c1-17-12-7-11-9-16(14(12)13(11)15)8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKey
IYPLSDZKBBXDCH-UHFFFAOYSA-N
Canonic Smiles
COC1CC2C(C1N(C2)Cc1ccccc1)Br
Isomeric Smiles
N1(C2C(Br)C(C1)CC2OC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.54904866
LogD (pH = 7.4)
2.2712388
Log P
2.791179
Molar Refractivity
72.5628
Polarizability
28.439407
Polar Surface Area
12.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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