Molecule

ID:77466

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrN
Molecular Mass
212.0864
Exact Mass
210.99966133
Charge
0
InChI
InChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKey
YIRSVRZXIXHOSN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)CCN2C
Isomeric Smiles
N1(c2c(cc(cc2)Br)CC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8818471
LogD (pH = 7.4)
2.8898282
Log P
2.8899307
Molar Refractivity
51.419
Polarizability
18.935787
Polar Surface Area
3.24
Rotatable Bonds
0
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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