Molecule

ID:16505

General Information
Structure
MolImage
Molecular Formula
C₃H₈IN₃
Molecular Mass
213.02019
Exact Mass
212.97629527
Charge
0
InChI
InChI=1S/C3H7N3.HI/c4-3-5-1-2-6-3;/h1-2H2,(H3,4,5,6);1H
InChIKey
NRKTUPLYOCIVPP-UHFFFAOYSA-N
Canonic Smiles
NC1=NCCN1.I
Isomeric Smiles
C1(=NCCN1)N.I
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3224692
LogD (pH = 7.4)
-3.317156
Log P
-0.9070785
Molar Refractivity
23.1462
Polarizability
8.550179
Polar Surface Area
50.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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