Molecule

ID:79564

General Information
Structure
Molecular Formula
C₄H₁₂IN₃
Molecular Mass
229.06265
Exact Mass
229.0075954
Charge
0
InChI
InChI=1S/C4H11N3.HI/c1-5-4(6-2)7-3;/h1-3H3,(H2,5,6,7);1H
InChIKey
HWZWLMPFFGWOIJ-UHFFFAOYSA-N
Canonic Smiles
CNC(=NC)NC.I
Isomeric Smiles
N(=C(NC)NC)C.I
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8733974
LogD (pH = 7.4)
-2.8729393
Log P
-0.45794415
Molar Refractivity
29.8898
Polarizability
11.100082
Polar Surface Area
36.42
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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