Molecule

ID:47692

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-10-5-6-13(12(14)8-10)15-7-3-4-11(2)9-15/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKey
SCFSIFALKXHKGZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(cc1N)C
Isomeric Smiles
N1(c2c(cc(cc2)C)N)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5144765
LogD (pH = 7.4)
2.9706855
Log P
2.9811242
Molar Refractivity
66.8418
Polarizability
24.716457
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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