Molecule

ID:11433

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO
Molecular Mass
211.25912
Exact Mass
211.09971404
Charge
0
InChI
InChI=1S/C14H13NO/c1-10-6-7-13-11(8-10)9-15-12-4-2-3-5-14(12)16-13/h2-8,15H,9H2,1H3
InChIKey
NCEYQLGZLWZIPV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)CNc1c(O2)cccc1
Isomeric Smiles
O1c2c(CNc3c1cccc3)cc(cc2)C
Calculated Properties
JChem
Acid pKa
13.579425
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2096357
LogD (pH = 7.4)
3.2109427
Log P
3.21096
Molar Refractivity
66.0884
Polarizability
24.69096
Polar Surface Area
21.26
Rotatable Bonds
0
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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