Molecule

ID:47597

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-2-11-7-5-6-10-15(11)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10,14H2,1H3
InChIKey
AMCXWURPXLUIBM-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccccc1N
Isomeric Smiles
N1(c2c(N)cccc2)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8017716
LogD (pH = 7.4)
3.0378075
Log P
3.0418272
Molar Refractivity
66.2718
Polarizability
24.797108
Polar Surface Area
29.26
Rotatable Bonds
2
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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