Molecule

ID:67247

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrN
Molecular Mass
212.0864
Exact Mass
210.99966133
Charge
0
InChI
InChI=1S/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKey
URDGCPQHZSDBRG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)CCNC2
Isomeric Smiles
C1NCCc2cc(ccc12)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.781886
LogD (pH = 7.4)
0.5115139
Log P
2.3402357
Molar Refractivity
50.2384
Polarizability
19.293858
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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