Molecule

ID:101302

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-14-10-12-4-2-3-5-13(12)11-15-6-8-16-9-7-15/h2-5,14H,6-11H2,1H3
InChIKey
JDNFUXILVHKZKU-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1CN1CCOCC1
Isomeric Smiles
N1(Cc2c(CNC)cccc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.437848
LogD (pH = 7.4)
-1.0803016
Log P
1.254491
Molar Refractivity
66.9232
Polarizability
26.246565
Polar Surface Area
24.5
Rotatable Bonds
4
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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