Molecule

ID:62355

General Information
Structure
Molecular Formula
C₁₁H₁₅BrN₂
Molecular Mass
255.1542
Exact Mass
254.04186049
Charge
0
InChI
InChI=1S/C11H15BrN2/c1-14-6-4-9(5-7-14)11-3-2-10(12)8-13-11/h2-3,8-9H,4-7H2,1H3
InChIKey
TZPWMJHBKSISOM-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)c1ccc(cn1)Br
Isomeric Smiles
n1c(C2CCN(CC2)C)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.88945717
LogD (pH = 7.4)
0.81357276
Log P
2.142322
Molar Refractivity
61.8417
Polarizability
23.931864
Polar Surface Area
16.13
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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