Molecule

ID:52603

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BrNO₂
Molecular Mass
264.15942
Exact Mass
263.05209082
Charge
0
InChI
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
OSMADJAEHVCZKN-MRVPVSSYSA-N
Canonic Smiles
BrC[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1CN([C@H](C1)CBr)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4058642
LogD (pH = 7.4)
2.4058642
Log P
2.4058642
Molar Refractivity
59.2265
Polarizability
23.109104
Polar Surface Area
29.54
Rotatable Bonds
3
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
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References
Bioactivity
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