Molecule

ID:61178

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-14(2)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+,11-10+
InChIKey
CPAPAUUVHVLWMO-BNFZFUHLSA-N
Canonic Smiles
CN(/C=C/C(=O)/C=C/c1ccccc1)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.79206
LogD (pH = 7.4)
2.76122
Log P
2.8100398
Molar Refractivity
64.9632
Polarizability
24.046545
Polar Surface Area
20.31
Rotatable Bonds
4
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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