Molecule

ID:64975

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7/h2-4,11H,5-6H2,1H3
InChIKey
RSBKALMWYNRSJK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)CNC2
Isomeric Smiles
C(=O)(c1cc2c(cc1)CNC2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7754703
LogD (pH = 7.4)
-0.34357557
Log P
1.2862989
Molar Refractivity
49.8859
Polarizability
19.216833
Polar Surface Area
38.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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