Molecule

ID:124951

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₄
Molecular Mass
204.27154
Exact Mass
204.13749653
Charge
0
InChI
InChI=1S/C11H16N4/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11/h3-6,8-9H,7,12H2,1-2H3
InChIKey
STGGMMMPXMVMBT-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1nnc2n1cccc2)N)C
Isomeric Smiles
c1(n2c(nn1)cccc2)C(CC(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7598286
LogD (pH = 7.4)
-0.0998422
Log P
0.82090706
Molar Refractivity
62.1205
Polarizability
23.137281
Polar Surface Area
56.21
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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