Molecule

ID:90557

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKey
KUVMTKFDWSRABZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(n1)N1CCCC1
Isomeric Smiles
n1c(cccc1N1CCCC1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.10551
LogD (pH = 7.4)
2.105815
Log P
2.1058187
Molar Refractivity
51.5338
Polarizability
19.04136
Polar Surface Area
39.92
Rotatable Bonds
1
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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