Molecule

ID:81116

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-2-6-12(5-1)7-3-8-13-9-4-11-10-13/h1-2,4-6,9-10H,3,7-8H2
InChIKey
BSEHDEPUPQIVOL-UHFFFAOYSA-N
Canonic Smiles
c1ccn(c1)CCCn1cncc1
Isomeric Smiles
n1cn(CCCn2cccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.71086556
LogD (pH = 7.4)
1.1750379
Log P
1.2436926
Molar Refractivity
52.5194
Polarizability
19.807346
Polar Surface Area
22.75
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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