Molecule
ID:48506
General Information
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c1-3-12(4-2)9-8(10)6-5-7-11-9/h5-7H,3-4,10H2,1-2H3
InChIKey
WSKZNAZWRSCWDO-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncccc1N)CC
Isomeric Smiles
c1(ncccc1N)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12933785
LogD (pH = 7.4)
1.1993617
Log P
1.3427647
Molar Refractivity
52.8408
Polarizability
19.076473
Polar Surface Area
42.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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