Molecule

ID:31382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-8-5-10-6-9(7-13)3-4-11(10)12(8)2/h3-4,6-8H,5H2,1-2H3
InChIKey
LTKYCKCZJNDDMR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)CC(N2C)C
Isomeric Smiles
N1(c2c(CC1C)cc(C=O)cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2495284
LogD (pH = 7.4)
2.2502463
Log P
2.2502556
Molar Refractivity
54.799
Polarizability
19.919315
Polar Surface Area
20.31
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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