Molecule

ID:81421

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃IN₄O
Molecular Mass
272.08739
Exact Mass
272.01340906
Charge
0
InChI
InChI=1S/C5H12N4O.HI/c6-5(8-7)9-1-3-10-4-2-9;/h1-4,7H2,(H2,6,8);1H
InChIKey
YXNSDJJTIYZVOV-UHFFFAOYSA-N
Canonic Smiles
NNC(=N)N1CCOCC1.I
Isomeric Smiles
N1(C(=N)NN)CCOCC1.I
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.6054678
LogD (pH = 7.4)
-3.5575929
Log P
-1.1473963
Molar Refractivity
59.9795
Polarizability
14.377515
Polar Surface Area
74.37
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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