Molecule

ID:68118

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)8-2-3-9-7(6-8)4-5-11-9/h2-3,6,11H,4-5H2,1H3
InChIKey
VVAPQJBMJBCZMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)CCN2
Isomeric Smiles
N1CCc2cc(ccc12)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4877003
LogD (pH = 7.4)
1.4893681
Log P
1.4893894
Molar Refractivity
51.5867
Polarizability
18.764988
Polar Surface Area
38.33
Rotatable Bonds
2
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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