Molecule

ID:30657

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11,14H2
InChIKey
XNUTYKUKRPEFKX-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CN1CCCCC1
Isomeric Smiles
N1(CC(c2ccccc2)N)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3445516
LogD (pH = 7.4)
0.06733306
Log P
2.027792
Molar Refractivity
64.3627
Polarizability
25.599691
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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