Molecule

ID:28564

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₄
Molecular Mass
150.1811
Exact Mass
150.09054634
Charge
0
InChI
InChI=1S/C7H10N4/c1-6-5-7(9)11(10-6)4-2-3-8/h5H,2,4,9H2,1H3
InChIKey
GLVQDYSGMRVBBV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(n(n1)CCC#N)N
Isomeric Smiles
c1(n(nc(c1)C)CCC#N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.46148974
LogD (pH = 7.4)
-0.43456826
Log P
-0.434214
Molar Refractivity
53.2699
Polarizability
15.415279
Polar Surface Area
67.63
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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