Molecule

ID:116442

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₅
Molecular Mass
181.2382
Exact Mass
181.13274551
Charge
0
InChI
InChI=1S/C8H15N5/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6,9H2
InChIKey
TULFVVFBFIUMPT-UHFFFAOYSA-N
Canonic Smiles
NCc1nnnn1C1CCCCC1
Isomeric Smiles
n1(c(nnn1)CN)C1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8282292
LogD (pH = 7.4)
-0.15288553
Log P
0.35091713
Molar Refractivity
62.3492
Polarizability
19.015736
Polar Surface Area
69.62
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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