Molecule

ID:48330

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-3-7-14(8-4-2)11-6-5-10(12)9-13-11/h5-6,9H,3-4,7-8,12H2,1-2H3
InChIKey
BCHVCLRGYHXZHE-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cn1)N)CCC
Isomeric Smiles
n1c(N(CCC)CCC)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2374055
LogD (pH = 7.4)
2.2765806
Log P
2.3878095
Molar Refractivity
61.8888
Polarizability
22.763657
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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