Molecule

ID:18518

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-8-5-9(2)13-11(6-8)12(7-15)10(3)14(13)4/h5-7H,1-4H3
InChIKey
TXIBTXYJSUNNKP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2cc(C)cc(c2n(c1C)C)C
Isomeric Smiles
n1(c(c(c2c1c(cc(c2)C)C)C=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2345903
LogD (pH = 7.4)
3.2345903
Log P
3.2345903
Molar Refractivity
63.8573
Polarizability
24.530556
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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