Molecule

ID:87494

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrN₂
Molecular Mass
201.06376
Exact Mass
199.9949103
Charge
0
InChI
InChI=1S/C7H9BrN2/c1-4-3-6(8)10-5(2)7(4)9/h3H,9H2,1-2H3
InChIKey
FLDDNTAAWZHAOT-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)c(c(n1)C)N
Isomeric Smiles
n1c(c(c(cc1Br)C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5401002
LogD (pH = 7.4)
1.5456425
Log P
1.5457137
Molar Refractivity
46.6992
Polarizability
16.981129
Polar Surface Area
38.91
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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