Molecule

ID:84807

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c1-12-7-8-13(2)10(12)9-3-5-11-6-4-9/h3-6,10H,7-8H2,1-2H3
InChIKey
OZJLZJAWPVLMIP-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(C1c1ccncc1)C
Isomeric Smiles
N1(C(c2ccncc2)N(CC1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.09911264
LogD (pH = 7.4)
0.84393746
Log P
0.8699678
Molar Refractivity
53.2315
Polarizability
20.968359
Polar Surface Area
19.37
Rotatable Bonds
1
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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