Molecule

ID:30653

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-14-13(12-5-3-2-4-6-12)11-15-7-9-16-10-8-15/h2-6,13-14H,7-11H2,1H3
InChIKey
FMZRRIHWLOAPQX-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccccc1)CN1CCOCC1
Isomeric Smiles
N1(CC(c2ccccc2)NC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8066143
LogD (pH = 7.4)
-0.555785
Log P
1.3915058
Molar Refractivity
66.0698
Polarizability
26.25096
Polar Surface Area
24.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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