Molecule

ID:18535

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2
InChIKey
ZFGDDEAKGXWYBG-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CN1CCCCC1
Isomeric Smiles
N1(Cc2ccc(cc2)CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3917327
LogD (pH = 7.4)
-1.9739865
Log P
1.8907771
Molar Refractivity
65.2161
Polarizability
25.595196
Polar Surface Area
29.26
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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