Molecule

ID:8497

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN
Molecular Mass
222.08122
Exact Mass
220.98401126
Charge
0
InChI
InChI=1S/C10H8BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey
SQRYQSKJZVQJAY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc(n2)C
Isomeric Smiles
c1(ccc2c(c1)ccc(n2)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0084624
LogD (pH = 7.4)
3.0307317
Log P
3.0310233
Molar Refractivity
52.1936
Polarizability
21.367168
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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