Molecule

ID:90802

General Information
Structure
Molecular Formula
C₈H₁₀BrN
Molecular Mass
200.0757
Exact Mass
198.99966133
Charge
0
InChI
InChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKey
FVFJGQJXAWCHIE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CBr
Isomeric Smiles
NCc1ccc(cc1)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1162169
LogD (pH = 7.4)
-0.17758444
Log P
1.8717515
Molar Refractivity
47.3818
Polarizability
18.156803
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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