Molecule

ID:42285

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂
Molecular Mass
234.03765
Exact Mass
233.96539623
Charge
0
InChI
InChI=1S/C6H7IN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChIKey
CAAOWHHLKPUWHW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)I)N
Isomeric Smiles
c1(cc(N)ccc1N)I
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0027971
LogD (pH = 7.4)
1.240274
Log P
1.2443384
Molar Refractivity
48.8213
Polarizability
17.805256
Polar Surface Area
52.04
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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