Molecule

ID:61895

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c1-3-10-7-15(14-13-10)11-6-9(12)5-4-8(11)2/h4-7H,3,12H2,1-2H3
InChIKey
SCFOPNIRUCAQIL-UHFFFAOYSA-N
Canonic Smiles
CCc1nnn(c1)c1cc(N)ccc1C
Isomeric Smiles
n1(nnc(c1)CC)c1cc(N)ccc1C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.124336
LogD (pH = 7.4)
2.19363
Log P
2.1945899
Molar Refractivity
61.7367
Polarizability
23.039656
Polar Surface Area
56.73
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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