Molecule

ID:92571

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrNO
Molecular Mass
244.12826
Exact Mass
243.02587607
Charge
0
InChI
InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
MOVOYJFCKMYLHQ-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1)Br)C
Isomeric Smiles
O(c1ccc(cc1)Br)CCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.4645655
LogD (pH = 7.4)
1.221243
Log P
2.6029718
Molar Refractivity
58.1631
Polarizability
22.633116
Polar Surface Area
12.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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