Molecule

ID:48520

General Information
Structure
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-3-8-14(9-4-2)11-10(12)6-5-7-13-11/h5-7H,3-4,8-9,12H2,1-2H3
InChIKey
RPVZLYRKLVRUEY-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ncccc1N)CCC
Isomeric Smiles
c1(ncccc1N)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1769308
LogD (pH = 7.4)
2.2459407
Log P
2.3878095
Molar Refractivity
61.8888
Polarizability
22.765047
Polar Surface Area
42.15
Rotatable Bonds
5
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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