Molecule

ID:31375

General Information
Structure
Molecular Formula
C₄H₅IN₂
Molecular Mass
208.00037
Exact Mass
207.94974617
Charge
0
InChI
InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey
RSDRDHPLXWMTRJ-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(cn1)I
Isomeric Smiles
n1n(cc(c1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3300223
LogD (pH = 7.4)
1.33005
Log P
1.3300503
Molar Refractivity
48.3239
Polarizability
14.259114
Polar Surface Area
17.82
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
References
Bioactivity
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