Molecule

ID:68617

General Information
Structure
MolImage
Molecular Formula
C₇H₈IN
Molecular Mass
233.04959
Exact Mass
232.97014726
Charge
0
InChI
InChI=1S/C7H8IN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKey
UZEAHFLEZWXHCE-UHFFFAOYSA-N
Canonic Smiles
Cc1c(N)cccc1I
Isomeric Smiles
c1(c(cccc1I)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5815363
LogD (pH = 7.4)
2.5866206
Log P
2.5866857
Molar Refractivity
49.1621
Polarizability
18.357635
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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