Molecule

ID:101346

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
InChIKey
WBEGYGZFOINKIL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cn1)N1CCCC1
Isomeric Smiles
N1(c2cnc(C#N)cc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5113403
LogD (pH = 7.4)
1.511361
Log P
1.5113612
Molar Refractivity
51.2203
Polarizability
19.040485
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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