Molecule

ID:74784

General Information
Structure
MolImage
Molecular Formula
C₄H₅IN₂
Molecular Mass
208.00037
Exact Mass
207.94974617
Charge
0
InChI
InChI=1S/C4H5IN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChIKey
DPUVICGLBCCTDM-UHFFFAOYSA-N
Canonic Smiles
Cn1cncc1I
Isomeric Smiles
n1cn(c(c1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6729889
LogD (pH = 7.4)
1.0144875
Log P
1.0237741
Molar Refractivity
35.5709
Polarizability
14.320575
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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