Molecule

ID:24547

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-8-3-5-13-9(2-4-11)7-12-10(13)6-8/h3,5-7H,2,4,11H2,1H3
InChIKey
NHRRUJYZVFEKRA-UHFFFAOYSA-N
Canonic Smiles
NCCc1cnc2n1ccc(c2)C
Isomeric Smiles
c12n(ccc(c2)C)c(cn1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4901764
LogD (pH = 7.4)
-2.027013
Log P
0.3787001
Molar Refractivity
54.1939
Polarizability
20.183886
Polar Surface Area
43.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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