Molecule

ID:15630

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-4-3-5-9-6-10(7-13)12(2)11(8)9/h3-7H,1-2H3
InChIKey
TVTBOKKHQFWRKY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(n1C)c(C)ccc2
Isomeric Smiles
c1ccc2c(c1C)n(c(c2)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4416087
LogD (pH = 7.4)
2.4416087
Log P
2.4416087
Molar Refractivity
53.5439
Polarizability
21.002491
Polar Surface Area
22.0
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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