Molecule

ID:47875

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-10-5-7-15(8-6-10)12-3-4-13(14)11(2)9-12/h3-4,9-10H,5-8,14H2,1-2H3
InChIKey
NZESFHIIJHUTRR-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(c(c1)C)N
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.068783
LogD (pH = 7.4)
2.623485
Log P
2.9031703
Molar Refractivity
66.9188
Polarizability
24.715698
Polar Surface Area
29.26
Rotatable Bonds
1
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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