Molecule

ID:84038

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅IN₄
Molecular Mass
306.14667
Exact Mass
306.0341445
Charge
0
InChI
InChI=1S/C9H14N4.HI/c1-6-4-3-5-7(2)8(6)12-9(10)13-11;/h3-5H,11H2,1-2H3,(H3,10,12,13);1H
InChIKey
FWUFALJERYVUNK-UHFFFAOYSA-N
Canonic Smiles
NNC(=N)Nc1c(C)cccc1C.I
Isomeric Smiles
N(c1c(cccc1C)C)C(=N)NN.I
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-0.7069137
LogD (pH = 7.4)
-0.5783963
Log P
1.7424393
Molar Refractivity
77.2511
Polarizability
20.122213
Polar Surface Area
73.93
Rotatable Bonds
1
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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