Molecule

ID:38349

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN
Molecular Mass
222.08122
Exact Mass
220.98401126
Charge
0
InChI
InChI=1S/C10H8BrN/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,12H2
InChIKey
XMDCYZRDFRTBQH-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2ccccc2cc1Br
Isomeric Smiles
c1c(c(cc2ccccc12)Br)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9012845
LogD (pH = 7.4)
2.9025333
Log P
2.9025493
Molar Refractivity
54.8314
Polarizability
21.62604
Polar Surface Area
26.02
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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