Molecule

ID:80629

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-11-4-5-13-10-6-8(7-12)2-3-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKey
WJHBKMPLXRGBGM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)OCCN2C
Isomeric Smiles
N1(c2ccc(cc2OCC1)C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4645929
LogD (pH = 7.4)
1.4645958
Log P
1.4645958
Molar Refractivity
51.5648
Polarizability
18.8352
Polar Surface Area
29.54
Rotatable Bonds
1
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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