Molecule

ID:17386

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-6(7-2-3-7)11-8(9)4-5-10-11/h4-7H,2-3,9H2,1H3
InChIKey
AIWXJQQUPZCXOB-UHFFFAOYSA-N
Canonic Smiles
CC(n1nccc1N)C1CC1
Isomeric Smiles
C1(C(n2c(ccn2)N)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.85512674
LogD (pH = 7.4)
0.85857904
Log P
0.8586232
Molar Refractivity
55.2759
Polarizability
16.667545
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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