Molecule

ID:48670

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂
Molecular Mass
291.1863
Exact Mass
290.04186049
Charge
0
InChI
InChI=1S/C14H15BrN2/c1-2-17(11-12-6-4-3-5-7-12)14-9-8-13(15)10-16-14/h3-10H,2,11H2,1H3
InChIKey
DEWZPKYMXDGZTB-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)Br)Cc1ccccc1
Isomeric Smiles
n1c(N(Cc2ccccc2)CC)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2570405
LogD (pH = 7.4)
4.307424
Log P
4.3081083
Molar Refractivity
75.6272
Polarizability
28.374931
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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