Molecule

ID:25104

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃
Molecular Mass
181.27796
Exact Mass
181.15789762
Charge
0
InChI
InChI=1S/C10H19N3/c1-5-11-7-10-8(3)12-13(6-2)9(10)4/h11H,5-7H2,1-4H3
InChIKey
NWFRQPJKLCWABC-UHFFFAOYSA-N
Canonic Smiles
CCNCc1c(C)nn(c1C)CC
Isomeric Smiles
c1(c(n(nc1C)CC)C)CNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1144686
LogD (pH = 7.4)
-0.8088643
Log P
1.0040021
Molar Refractivity
67.4478
Polarizability
21.312368
Polar Surface Area
29.85
Rotatable Bonds
4
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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