Molecule

ID:16669

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15/h3-6,12,14H,7-10H2,1-2H3
InChIKey
CPMJSSANBOUJPZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C)N1CCNCC1
Isomeric Smiles
c1(C(N2CCNCC2)C)ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0411711
LogD (pH = 7.4)
0.31634673
Log P
2.3087106
Molar Refractivity
64.8161
Polarizability
25.518492
Polar Surface Area
15.27
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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