Molecule

ID:122375

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O
Molecular Mass
222.32658
Exact Mass
222.17321333
Charge
0
InChI
InChI=1S/C13H22N2O/c1-15(2)9-5-8-14-11-12-6-4-7-13(10-12)16-3/h4,6-7,10,14H,5,8-9,11H2,1-3H3
InChIKey
CHTUVBVTLXJMNP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CNCCCN(C)C
Isomeric Smiles
N(CCCNCc1cc(OC)ccc1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.1506057
LogD (pH = 7.4)
-1.6338542
Log P
1.4525276
Molar Refractivity
68.6537
Polarizability
26.972279
Polar Surface Area
24.5
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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