Molecule

ID:77409

General Information
Structure
Molecular Formula
C₁₁H₂₃IN₄
Molecular Mass
338.23159
Exact Mass
338.09674476
Charge
0
InChI
InChI=1S/C11H22N4.HI/c12-11(13)15-8-4-10(5-9-15)14-6-2-1-3-7-14;/h10H,1-9H2,(H3,12,13);1H
InChIKey
BOQVOZPIFNVEQX-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCC(CC1)N1CCCCC1.I
Isomeric Smiles
N1(CCC(N2CCCCC2)CC1)C(=N)N.I
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.677791
LogD (pH = 7.4)
-4.637473
Log P
0.1799187
Molar Refractivity
73.5212
Polarizability
24.056778
Polar Surface Area
56.35
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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