Molecule

ID:40408

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey
HUTKDPINCSJXAA-CMDGGOBGSA-N
Canonic Smiles
CN(/C=C/C(=O)c1ccccc1)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.404875
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1488454
LogD (pH = 7.4)
1.8521621
Log P
1.8752213
Molar Refractivity
54.813
Polarizability
20.493614
Polar Surface Area
20.31
Rotatable Bonds
3
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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