Molecule

ID:33059

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,6-7,11H2
InChIKey
QGWLKJMMXIXRQU-UHFFFAOYSA-N
Canonic Smiles
NCCCn1ncc2c1cccc2
Isomeric Smiles
n1n(c2c(c1)cccc2)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3429255
LogD (pH = 7.4)
-1.9819275
Log P
0.6829597
Molar Refractivity
64.1043
Polarizability
21.66654
Polar Surface Area
43.84
Rotatable Bonds
3
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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