Molecule

ID:48334

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-2-16(12-6-4-3-5-7-12)13-9-8-11(14)10-15-13/h8-10,12H,2-7,14H2,1H3
InChIKey
IDAKWHSCYIVXFC-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)N)C1CCCCC1
Isomeric Smiles
c1(ncc(N)cc1)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6519852
LogD (pH = 7.4)
2.6810527
Log P
2.7852273
Molar Refractivity
69.1064
Polarizability
25.718397
Polar Surface Area
42.15
Rotatable Bonds
3
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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