Molecule

ID:35504

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)13-4-2-12(10-14)3-5-13/h2-5,11H,6-10,14H2,1H3
InChIKey
PTNLGUVQBDMODF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCC(CC1)C
Isomeric Smiles
N1(c2ccc(cc2)CN)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7980405
LogD (pH = 7.4)
0.178214
Log P
2.3444433
Molar Refractivity
65.6506
Polarizability
25.193605
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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