Molecule

ID:80749

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
InChIKey
MKKMZZXGIORPMU-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)CCN)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0566862
LogD (pH = 7.4)
0.6291933
Log P
2.9544773
Molar Refractivity
70.3622
Polarizability
27.619196
Polar Surface Area
35.25
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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