Molecule

ID:84598

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈BrNO₂
Molecular Mass
324.21292
Exact Mass
323.05209082
Charge
0
InChI
InChI=1S/C15H18BrNO2/c1-19-15(18)12-7-11-9-17(14(12)13(11)16)8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKey
YNHAMFHSZCNLPH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC2C(C1N(C2)Cc1ccccc1)Br
Isomeric Smiles
N1(C2C(CC(C1)C2Br)C(=O)OC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.60773414
LogD (pH = 7.4)
2.3001754
Log P
2.747502
Molar Refractivity
77.3051
Polarizability
30.398174
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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