Molecule

ID:14289

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3/b12-8-
InChIKey
GCECACVNILMTRD-WQLSENKSSA-N
Canonic Smiles
O=C/C=C/1\N(C)c2c(C1(C)C)cccc2
Isomeric Smiles
c12c(C(/C(=C/C=O)/N1C)(C)C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3518755
LogD (pH = 7.4)
2.3518798
Log P
2.3518798
Molar Refractivity
63.8188
Polarizability
23.466022
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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