Molecule

ID:25017

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂
Molecular Mass
291.1863
Exact Mass
290.04186049
Charge
0
InChI
InChI=1S/C14H15BrN2/c15-14-8-6-13(7-9-14)11-17(16)10-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKey
DQSCXXHLSCOCEY-UHFFFAOYSA-N
Canonic Smiles
NN(Cc1ccccc1)Cc1ccc(cc1)Br
Isomeric Smiles
N(Cc1ccc(Br)cc1)(Cc1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9524202
LogD (pH = 7.4)
3.3415666
Log P
3.3496788
Molar Refractivity
76.0255
Polarizability
29.114126
Polar Surface Area
29.26
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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