Molecule

ID:17201

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)10-5-3-9(4-6-10)7-8-11/h3-6H,7-8,11H2,1-2H3
InChIKey
BODSPBSIEGRURL-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)N(C)C
Isomeric Smiles
c1(ccc(cc1)CCN)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6882786
LogD (pH = 7.4)
-0.8740681
Log P
1.4957193
Molar Refractivity
53.715
Polarizability
20.316917
Polar Surface Area
29.26
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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