Molecule

ID:13570

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-3,8-9,11,13,15H,4-7,10H2,1H3
InChIKey
LIXDUPDEYUFILL-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(CC1)NCc1cccnc1
Isomeric Smiles
C1C(CCC(C1)NCc1cnccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.79575604
LogD (pH = 7.4)
0.16660705
Log P
2.4002118
Molar Refractivity
62.7119
Polarizability
24.988934
Polar Surface Area
24.92
Rotatable Bonds
3
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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