Molecule

ID:50340

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-14(2)7-11-13(12(16)8-14)9-5-3-4-6-10(9)15-11/h3-6,15H,7-8H2,1-2H3
InChIKey
CWRWHDVCYDYQAV-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C)(C)Cc2c1c1ccccc1[nH]2
Isomeric Smiles
c12c([nH]c3c2cccc3)CC(CC1=O)(C)C
Calculated Properties
JChem
Acid pKa
12.979044
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7310464
LogD (pH = 7.4)
2.7310455
Log P
2.7310464
Molar Refractivity
64.4684
Polarizability
25.963404
Polar Surface Area
32.86
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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