Molecule

ID:76197

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3
InChIKey
ZINZYRWMDNKTBY-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccccc1)CN1CCCC1
Isomeric Smiles
N1(CC(c2ccccc2)NC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.483561
LogD (pH = 7.4)
-0.15677202
Log P
2.0158038
Molar Refractivity
64.5363
Polarizability
25.59966
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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