Molecule

ID:66282

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂
Molecular Mass
241.12762
Exact Mass
240.02621043
Charge
0
InChI
InChI=1S/C10H13BrN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
InChIKey
ZXWFFOCOSVMOPB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C1NCCNC1
Isomeric Smiles
N1C(CNCC1)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2757514
LogD (pH = 7.4)
0.21543671
Log P
1.824186
Molar Refractivity
57.3544
Polarizability
22.722631
Polar Surface Area
24.06
Rotatable Bonds
1
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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