Molecule

ID:74125

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)
InChIKey
REUQKCDCQVNKLW-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(C(=O)N)C)C
Isomeric Smiles
NC(=O)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
Acid pKa
16.748787
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0366156
LogD (pH = 7.4)
3.0366156
Log P
3.0366156
Molar Refractivity
62.5541
Polarizability
24.359356
Polar Surface Area
43.09
Rotatable Bonds
4
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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