Molecule

ID:48292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BrN₂
Molecular Mass
257.17008
Exact Mass
256.05751055
Charge
0
InChI
InChI=1S/C11H17BrN2/c1-4-5-6-14(3)11-7-9(2)10(12)8-13-11/h7-8H,4-6H2,1-3H3
InChIKey
KKBMSVAHJLHSEY-UHFFFAOYSA-N
Canonic Smiles
CN(c1cc(C)c(cn1)Br)CCCC
Isomeric Smiles
c1(ncc(c(c1)C)Br)N(CCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7145736
LogD (pH = 7.4)
4.057156
Log P
4.064148
Molar Refractivity
65.1808
Polarizability
24.276754
Polar Surface Area
16.13
Rotatable Bonds
4
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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