Molecule

ID:17669

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-12-10-15(11-17)13(2)16(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKey
XTBALTOVICAGLW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCc1ccccc1)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4015653
LogD (pH = 7.4)
3.4015653
Log P
3.4015653
Molar Refractivity
71.9645
Polarizability
26.597387
Polar Surface Area
22.0
Rotatable Bonds
4
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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