Molecule

ID:13204

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-17-15-9-5-8-14(10-15)12-16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChIKey
XCAYUNJSPOEITF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCc1cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06074481
LogD (pH = 7.4)
1.5328621
Log P
3.0983965
Molar Refractivity
70.3818
Polarizability
27.699917
Polar Surface Area
21.26
Rotatable Bonds
5
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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