Molecule

ID:117010

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₅
Molecular Mass
217.2703
Exact Mass
217.13274551
Charge
0
InChI
InChI=1S/C11H15N5/c1-8(2)9-3-5-10(6-4-9)16-11(7-12)13-14-15-16/h3-6,8H,7,12H2,1-2H3
InChIKey
MVGOZAISSHROLC-UHFFFAOYSA-N
Canonic Smiles
NCc1nnnn1c1ccc(cc1)C(C)C
Isomeric Smiles
n1(c(nnn1)CN)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6917392
LogD (pH = 7.4)
0.97657543
Log P
1.4546142
Molar Refractivity
64.9841
Polarizability
24.468843
Polar Surface Area
69.62
Rotatable Bonds
3
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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