Molecule

ID:36026

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂
Molecular Mass
231.29028
Exact Mass
231.12592879
Charge
0
InChI
InChI=1S/C14H17NO2/c1-3-7-15-9-11(10-16)13-8-12(17-4-2)5-6-14(13)15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKey
JYDKVFPUDYMXFR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)c(C=O)cn2CCC
Isomeric Smiles
c1(ccc2n(cc(c2c1)C=O)CCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0866532
LogD (pH = 7.4)
3.0866532
Log P
3.0866532
Molar Refractivity
69.1096
Polarizability
27.255087
Polar Surface Area
31.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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