Molecule

ID:14676

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-2-20-14-8-13-19-17(15-9-4-3-5-10-15)16-11-6-7-12-18-16/h3-7,9-12,17,19H,2,8,13-14H2,1H3
InChIKey
YCLFMLZCRNBUQY-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNC(c1ccccn1)c1ccccc1
Isomeric Smiles
C(c1ccccc1)(c1ccccn1)NCCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.28767803
LogD (pH = 7.4)
2.0193787
Log P
2.7016158
Molar Refractivity
81.6423
Polarizability
32.319447
Polar Surface Area
34.15
Rotatable Bonds
8
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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